c-bone/mp_20_Xaug_sc · Datasets at Hugging Face

Material ID stringlengths 4 10	Reduced_Formula stringlengths 1 18	CIF stringlengths 761 5.02k	CIF_SUPERCELL_1 stringlengths 0 1.77k	CIF_SUPERCELL_2 stringlengths 0 1.77k	supercell_params listlengths 2 2	token_count_by_cif_variant listlengths 3 3
mp-1221227	Na3MnCoNiO6	data_[Na6Mn2Co2Ni2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.8775 Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...			[ [], [] ]	[ 714, 0, 0 ]
mp-974729	Nd(Al2Cu)4	data_[Nd2Al16Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.9013] _cell_length_b [8.9013] _cell_length_c [5.1991] ...			[ [], [] ]	[ 406, 0, 0 ]
mp-1185360	LiMnIr2	data_[Li4Mn4Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.8775 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8894] _cell_length_b [5.8894] _cell_length_c [5.8894] _c...			[ [], [] ]	[ 370, 0, 0 ]
mp-1188861	LiCSN	data_[Li4C4S4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.3431] _cell_length_b [3.8588] ...			[ [], [] ]	[ 430, 0, 0 ]
mp-677272	La2EuS4	data_[La8Eu4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Eu 1.2000 1.8500 1.1985 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.7795] _cell_length_b [8.7795] _cell_length_c [8.7132] _ce...			[ [], [] ]	[ 374, 0, 0 ]
mp-1104517	Yb3Ga9Pt2	data_[Yb6Ga18Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Ga 1.8100 1.3000 0.7600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.2995] _cell_length_b [9.7147] _cell_length_c [12.3841] _...			[ [], [] ]	[ 467, 0, 0 ]
mp-561310	NaLiCO3	data_[Na3Li3C3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.4184] _cell_length_b [8.4184...			[ [], [] ]	[ 494, 0, 0 ]
mp-777964	Na2BiO3	data_[Na8Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0011] _cell_length_b [10.3518] _cell_length_c [5.9525] _ce...			[ [], [] ]	[ 467, 0, 0 ]
mp-1078776	InBiS3	data_[In2Bi2S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.6703] _cell_length_b [3.9358] _cell_length_c [9.9439] _ce...	data_[In4Bi4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [13.3407] _cell_length_b [3.9358] _cell_length_c [9.9439] _cell...	data_[In4Bi4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.6703] _cell_length_b [7.8715] _cell_length_c [9.9439] _cell_...	[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]	[ 431, 898, 897 ]
mp-1217581	TbAlNi4	data_[Tb2Al2Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.0138] _cell_length_b [8.4008] _cell_length_c [4.0044] _ce...	data_[Tb4Al4Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0138] _cell_length_b [16.8015] _cell_length_c [4.0044] _ce...	data_[Tb4Al4Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.0277] _cell_length_b [8.4008] _cell_length_c [4.0044] _ce...	[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]	[ 400, 1022, 1022 ]
mp-1226849	CdIn3Te4As	data_[Cd1In3Te4As1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3979] _cell_length_b [7.754...	data_[Cd2In6Te8As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.7958] _cell_length_b [7.75...	data_[Cd2In6Te8As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3979] _cell_length_b [15.50...	[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]	[ 585, 865, 865 ]
mp-1188441	TiCu4	data_[Ti4Cu16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.4982] _cell_length_b [4.3362] _cell_length_c [13.0316] _cell_angle_alpha [90.0000] _cell...			[ [], [] ]	[ 404, 0, 0 ]
mp-2400	NaS	data_[Na4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.5143] _cell_length_b [4.5143] _cell_length_c [10.2841] _cell_angle_alpha [90.0000] _cel...	data_[Na12S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.5143] _cell_length_b [4.5143] _cell_length_c [30.8524] _cell_angle_alpha [90.0000] _cell_an...	data_[Na8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.0286] _cell_length_b [4.5143] _cell_length_c [10.2841] _cell_angle_alpha [90.0000] _cell_angl...	[ [ 1, 1, 3 ], [ 2, 1, 1 ] ]	[ 341, 995, 742 ]
mp-755297	Li2CoO2	data_[Li2Co1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.1530] _cell_length_b [3.1530] _cell_length_c [5.1243] _cel...	data_[Li6Co3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.1530] _cell_length_b [9.4591] _cell_length_c [5.1243] _cell_a...	data_[Li4Co2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.1530] _cell_length_b [3.1530] _cell_length_c [10.2485] _cell_...	[ [ 1, 3, 1 ], [ 1, 1, 2 ] ]	[ 371, 742, 587 ]
mp-1112148	Cs2NaMoI6	data_[Cs8Na4Mo4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Mo 2.1600 1.4500 0.7750 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.0370] _cell_length_b [12...			[ [], [] ]	[ 439, 0, 0 ]
mp-20950	Nd(SiPt)2	data_[Nd2Si4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2516] _cell_length_b [4.2516] _cell_length_c [9.9866] _...	data_[Nd4Si8Pt8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.5031] _cell_length_b [4.2516] _cell_length_c [9.9866] _cell...	data_[Nd4Si8Pt8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2516] _cell_length_b [8.5031] _cell_length_c [9.9866] _cell...	[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]	[ 372, 897, 897 ]
mp-1019278	TbGeAu	data_[Tb2Ge2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.4847] _cell_length_b [4.4847] _cell_length_c [7.3816] _...	data_[Tb8Ge8Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.9694] _cell_length_b [4.4847] _cell_length_c [14.7632] _cel...	data_[Tb4Ge4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4847] _cell_length_b [4.4847] _cell_length_c [14.7632] _cel...	[ [ 2, 1, 2 ], [ 1, 1, 2 ] ]	[ 370, 1020, 648 ]
mp-547792	KSbO3	data_[K6Sb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.4752] _cell_length_b [5.4752] _cell_length_c [18.6373] _cell_...			[ [], [] ]	[ 375, 0, 0 ]
mp-16341	Li2HgGe	data_[Li8Hg4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.4742] _cell_length_b [6.4742] _cell_length_c [6.4742] _c...			[ [], [] ]	[ 370, 0, 0 ]
mp-1215947	YLu(BIr)8	data_[Y1Lu1B8Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Lu 1.2700 1.7500 1.0010 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.3975] _cell_length_b [5.3975...			[ [], [] ]	[ 495, 0, 0 ]
mp-1224950	FeCoSb4	data_[Fe1Co1Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.7418] _cell_length_b [3.2708] _cell_length_c [6.4742] _ce...	data_[Fe4Co4Sb16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.7418] _cell_length_b [6.5417] _cell_length_c [12.9485] _ce...	data_[Fe2Co2Sb8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.7418] _cell_length_b [6.5417] _cell_length_c [6.4742] _cell...	[ [ 1, 2, 2 ], [ 1, 2, 1 ] ]	[ 400, 1022, 647 ]
mp-867272	LiAlCu2	data_[Li4Al4Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8781] _cell_length_b [5.8781] _cell_length_c [5.8781] _c...			[ [], [] ]	[ 370, 0, 0 ]
mp-1185774	Mg2Sc	data_[Mg8Sc4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2597] _cell_length_b [16.5897] _cell_length_c [5.1787] _cell_angle_alpha [90.0000] _cell_...	data_[Mg16Sc8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.2597] _cell_length_b [16.5897] _cell_length_c [10.3574] _cell_angle_alpha [90.0000] _cell_...	data_[Mg16Sc8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5193] _cell_length_b [16.5897] _cell_length_c [5.1787] _cell_angle_alpha [90.0000] _cell_a...	[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]	[ 340, 993, 992 ]
mp-776164	LiFeF4	data_[Li2Fe2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6494] _cell_length_b [4.7727] _cell_length_c [5.6591] _ce...	data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [11.2988] _cell_length_b [4.7727] _cell_length_c [5.6591] _cell...	data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6494] _cell_length_b [9.5455] _cell_length_c [5.6591] _cell_...	[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]	[ 401, 1023, 1022 ]
mp-30875	Ti2Sn	data_[Ti4Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.7532] _cell_length_b [4.7532] _cell_length_c [5.6418] _cell_angle_alpha [90.0000] _ce...	data_[Ti16Sn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.7532] _cell_length_b [9.5065] _cell_length_c [11.2836] _cell_angle_alpha [90.0000] _cell_a...	data_[Ti8Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.7532] _cell_length_b [4.7532] _cell_length_c [11.2836] _cell_angle_alpha [90.0000] _cell_an...	[ [ 1, 2, 2 ], [ 1, 1, 2 ] ]	[ 341, 993, 619 ]
mp-15822	LiSmGe	data_[Li3Sm3Ge3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.2231] _cell_length_b [7.2231] _cell_length_c [4.3344] _c...	data_[Li6Sm6Ge6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [14.4462] _cell_length_b [7.2231] _cell_length_c [4.3344] _cel...	data_[Li6Sm6Ge6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.2231] _cell_length_b [7.2231] _cell_length_c [8.6688] _cell...	[ [ 2, 1, 1 ], [ 1, 1, 2 ] ]	[ 401, 834, 833 ]
mp-1111567	K2ScTlF6	data_[K8Sc4Tl4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3473] _cell_length_b [9.347...			[ [], [] ]	[ 435, 0, 0 ]
mp-684705	CaLaMnMoO6	data_[Ca2La2Mn2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.8775 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...			[ [], [] ]	[ 648, 0, 0 ]
mp-2832	Cr2Se3	data_[Cr12Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.3592] _cell_length_b [6.3592] _cell_length_c [17.6831] _cell_angle_alpha [90.0000] _cell...			[ [], [] ]	[ 380, 0, 0 ]
mp-865364	DyTaRu2	data_[Dy4Ta4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ta 1.5000 1.4500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5493] _cell_length_b [6.5493] _cell_length_c [6.5493] _c...			[ [], [] ]	[ 370, 0, 0 ]
mp-12571	HfBeSi	data_[Hf2Be2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.7080] _cell_length_b [3.7080] _cell_length_c [7.1347]...	data_[Hf8Be8Si8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7080] _cell_length_b [7.4159] _cell_length_c [14.2693] _cel...	data_[Hf4Be4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7080] _cell_length_b [3.7080] _cell_length_c [14.2693] _cel...	[ [ 1, 2, 2 ], [ 1, 1, 2 ] ]	[ 369, 1020, 648 ]
mp-1225679	ErGaNi	data_[Er4Ga4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.6586] _cell_length_b [4.1784] _cell_length_c [6.7770] _ce...	data_[Er8Ga8Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6586] _cell_length_b [4.1784] _cell_length_c [13.5539] _cel...	data_[Er8Ga8Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6586] _cell_length_b [8.3567] _cell_length_c [6.7770] _cell...	[ [ 1, 1, 2 ], [ 1, 2, 1 ] ]	[ 369, 1020, 1019 ]
mp-1102038	MgH2	data_[Mg4H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [4.8232] _cell_length_b [4.8232] _cell_length_c [4.8232] _cell_angle_alpha [90.0000] _cell_ang...	data_[Mg8H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.8232] _cell_length_b [9.6465] _cell_length_c [4.8232] _cell_angle_alpha [90.0000] _cell_angl...	data_[Mg8H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6465] _cell_length_b [4.8232] _cell_length_c [4.8232] _cell_angle_alpha [90.0000] _cell_angl...	[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]	[ 309, 991, 991 ]
mp-1187002	Sm2MgCd	data_[Sm8Mg4Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.6581] _cell_length_b [7.6581] _cell_length_c [7.6581] _c...			[ [], [] ]	[ 370, 0, 0 ]
mp-15634	Cs2NaTiF6	data_[Cs12Na6Ti6F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.3868] _cell_length_b [6.3...			[ [], [] ]	[ 536, 0, 0 ]
mp-1667	Co2Ge	data_[Co4Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.0053] _cell_length_b [4.0053] _cell_length_c [5.0150] _cell_angle_alpha [90.0000] _ce...	data_[Co16Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [16.0211] _cell_length_b [4.0053] _cell_length_c [5.0150] _cell_angle_alpha [90.0000] _cell_a...	data_[Co12Ge6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.0158] _cell_length_b [4.0053] _cell_length_c [5.0150] _cell_angle_alpha [90.0000] _cell_a...	[ [ 4, 1, 1 ], [ 3, 1, 1 ] ]	[ 340, 993, 807 ]
mp-29337	Tl3BS3	data_[Tl6B2S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.7899] _cell_length_b [9.9908] _cell_length_c [6.7377] _cell...			[ [], [] ]	[ 432, 0, 0 ]
mp-1102002	FeTe2	data_[Fe4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [6.2713] _cell_length_b [6.2713] _cell_length_c [6.2713] _cell_angle_alpha [90.0000] _cell_a...	data_[Fe8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.2713] _cell_length_b [6.2713] _cell_length_c [12.5427] _cell_angle_alpha [90.0000] _cell_a...	data_[Fe8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.5427] _cell_length_b [6.2713] _cell_length_c [6.2713] _cell_angle_alpha [90.0000] _cell_a...	[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]	[ 309, 992, 992 ]
mp-22592	CaTi4(CuO4)3	data_[Ca2Ti8Cu6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Im-3] _cell_length_a [7.4601] _cell_length_b [7.46...			[ [], [] ]	[ 438, 0, 0 ]
mp-4482	NaSbO3	data_[Na6Sb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.3836] _cell_length_b [5.3836] _cell_length_c [16.2563] _cel...			[ [], [] ]	[ 375, 0, 0 ]
mp-867135	ScZnPd2	data_[Sc4Zn4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.3848] _cell_length_b [6.3848] _cell_length_c [6.3848] _c...			[ [], [] ]	[ 370, 0, 0 ]
mp-1225810	Cu2SiTe3	data_[Cu4Si2Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.2527] _cell_length_b [12.5882] _cell_length_c [5.9445] _c...	data_[Cu8Si4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2527] _cell_length_b [12.5882] _cell_length_c [11.8891] _c...	data_[Cu8Si4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.5055] _cell_length_b [12.5882] _cell_length_c [5.9445] _ce...	[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]	[ 402, 1024, 1023 ]
mp-1103663	Sr3TaHO6	data_[Sr6Ta2H2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.4742] _cell_length_b [8.6482] ...			[ [], [] ]	[ 588, 0, 0 ]
mp-1227942	BaGaGe	data_[Ba1Ga1Ge1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.4069] _cell_length_b [4.4069] _cell_length_c [5.1044] _c...	data_[Ba4Ga4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4069] _cell_length_b [4.4069] _cell_length_c [20.4177] _cel...	data_[Ba3Ga3Ge3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [13.2207] _cell_length_b [4.4069] _cell_length_c [5.1044] _cel...	[ [ 1, 1, 4 ], [ 3, 1, 1 ] ]	[ 369, 648, 555 ]
mp-1206487	Yb(CdAs)2	data_[Yb1Cd2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4417] _cell_length_b [4.4417] _cell_length_c [7.1522] _c...	data_[Yb4Cd8As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4417] _cell_length_b [8.8835] _cell_length_c [14.3043] _cel...	data_[Yb2Cd4As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4417] _cell_length_b [4.4417] _cell_length_c [14.3043] _cel...	[ [ 1, 2, 2 ], [ 1, 1, 2 ] ]	[ 373, 899, 589 ]
mp-1224823	GaGePt6	data_[Ga2Ge2Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [5.5847] _cell_length_b [5.5847] _cell_length_c [7.9502] _...			[ [], [] ]	[ 403, 0, 0 ]
mp-643814	Zn2SiH2O5	data_[Zn8Si4H8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [8.5161] _cell_length_b [10.881...			[ [], [] ]	[ 590, 0, 0 ]
mp-568529	PrMg2Ni9	data_[Pr3Mg6Ni27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.8964] _cell_length_b [4.8964] _cell_length_c [23.6058] _...			[ [], [] ]	[ 440, 0, 0 ]
mp-10626	Yb(SiRh)2	data_[Yb2Si4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1003] _cell_length_b [4.1003] _cell_length_c [9.9349] _...	data_[Yb4Si8Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.2005] _cell_length_b [4.1003] _cell_length_c [9.9349] _cell...	data_[Yb4Si8Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.1003] _cell_length_b [4.1003] _cell_length_c [19.8697] _cel...	[ [ 2, 1, 1 ], [ 1, 1, 2 ] ]	[ 372, 897, 898 ]
mp-759676	V4O7F5	data_[V8O14F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.1959] _cell_length_b [5.2182] _cell_length_c [8.7779] _cell_ang...			[ [], [] ]	[ 561, 0, 0 ]
mp-754736	BaSr3I8	data_[Ba2Sr6I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.1436] _cell_length_b [8.1436] _cell_length_c [16.3250] _...			[ [], [] ]	[ 407, 0, 0 ]
mp-862287	BeAlRh2	data_[Be4Al4Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Al 1.6100 1.2500 0.6750 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8165] _cell_length_b [5.8165] _cell_length_c [5.8165] _c...			[ [], [] ]	[ 370, 0, 0 ]
mp-1185135	KBr3	data_[K2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.4509] _cell_length_b [6.4509] _cell_length_c [7.7155] _cell_angle_alpha [90.0000] _cell...	data_[K6Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [19.3527] _cell_length_b [6.4509] _cell_length_c [7.7155] _cell_angle_alpha [90.0000] _cell_ang...	data_[K4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.9018] _cell_length_b [6.4509] _cell_length_c [7.7155] _cell_angle_alpha [90.0000] _cell_ang...	[ [ 3, 1, 1 ], [ 2, 1, 1 ] ]	[ 310, 993, 745 ]
mp-676315	Y2GeI2	data_[Y6Ge3I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2632] _cell_length_b [4.2632] _cell_length_c [32.2112] _cell_...			[ [], [] ]	[ 373, 0, 0 ]
mp-550220	CoGeO3	data_[Co8Ge8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.8160] _cell_length_b [9.0963] _cell_length_c [5.1923] _cell_...			[ [], [] ]	[ 652, 0, 0 ]
mp-571044	CeSi2Ir3	data_[Ce1Si2Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [5.5817] _cell_length_b [5.5817] _cell_length_c [3.7246] _...	data_[Ce3Si6Ir9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [16.7452] _cell_length_b [5.5817] _cell_length_c [3.7246] _cel...	data_[Ce2Si4Ir6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5817] _cell_length_b [11.1635] _cell_length_c [3.7246] _cel...	[ [ 3, 1, 1 ], [ 1, 2, 1 ] ]	[ 372, 836, 650 ]
mp-766870	Mn5O9F	data_[Mn5O9F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.8775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0753] _cell_length_b [5.1151] _cell_length_c [7.8445] _cell_ang...			[ [], [] ]	[ 746, 0, 0 ]
mp-552963	Pr2Ti2S2O5	data_[Pr4Ti4S4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8889] _cell_length_b [3.88...			[ [], [] ]	[ 468, 0, 0 ]
mp-1025252	Cs2MnCl4	data_[Cs4Mn2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mn 1.5500 1.4000 0.8775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.2252] _cell_length_b [5.2252] _cell_length_c [17.0796] ...			[ [], [] ]	[ 403, 0, 0 ]
mp-570668	LaSe2	data_[La4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.6381] _cell_length_b [4.2801] _cell_length_c [8.5628] _cell_angle_alpha [90.0000] _cell...	data_[La8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.6381] _cell_length_b [4.2801] _cell_length_c [17.1255] _cell_angle_alpha [90.0000] _cell_a...	data_[La8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [17.2762] _cell_length_b [4.2801] _cell_length_c [8.5628] _cell_angle_alpha [90.0000] _cell_a...	[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]	[ 339, 992, 992 ]
mp-973935	OsN2	data_[Os1N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [2.8242] _cell_length_b [2.8242] _cell_length_c [4.9643] _cell_angle_alpha [90.0000] _cell_a...	data_[Os6N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6484] _cell_length_b [2.8242] _cell_length_c [14.8930] _cell_angle_alpha [90.0000] _cell_ang...	data_[Os4N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.8242] _cell_length_b [5.6484] _cell_length_c [9.9286] _cell_angle_alpha [90.0000] _cell_angle...	[ [ 2, 1, 3 ], [ 1, 2, 2 ] ]	[ 309, 807, 618 ]
mp-1217143	Ti3AgS6	data_[Ti9Ag3S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.9423] _cell_length_b [5.9423] _cell_length_c [19.3781] _cel...			[ [], [] ]	[ 408, 0, 0 ]
mp-1206941	Rb(CoP)2	data_[Rb2Co4P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7012] _cell_length_b [3.7012] _cell_length_c [13.9374] _c...	data_[Rb4Co8P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7012] _cell_length_b [7.4024] _cell_length_c [13.9374] _cell_...	data_[Rb4Co8P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7012] _cell_length_b [3.7012] _cell_length_c [27.8749] _cell_...	[ [ 1, 2, 1 ], [ 1, 1, 2 ] ]	[ 373, 898, 898 ]
mp-567807	TmZrSb	data_[Tm4Zr4Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zr 1.3300 1.5500 0.8600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2590] _cell_length_b [4.2590] _cell_length_c [16.4333] ...	data_[Tm8Zr8Sb8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zr 1.3300 1.5500 0.8600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2590] _cell_length_b [8.5181] _cell_length_c [16.4333] _cel...	data_[Tm8Zr8Sb8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zr 1.3300 1.5500 0.8600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.5181] _cell_length_b [4.2590] _cell_length_c [16.4333] _cel...	[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]	[ 370, 1019, 1019 ]
mp-862259	Sc3Al	data_[Sc6Al2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.3148] _cell_length_b [6.3148] _cell_length_c [5.0477] _cell_angle_alpha [90.0000] _ce...	data_[Sc18Al6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3148] _cell_length_b [18.9444] _cell_length_c [5.0477] _cell_angle_alpha [90.0000] _cell_a...	data_[Sc12Al4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3148] _cell_length_b [6.3148] _cell_length_c [10.0954] _cell_angle_alpha [90.0000] _cell_a...	[ [ 1, 3, 1 ], [ 1, 1, 2 ] ]	[ 310, 993, 745 ]
mvc-15303	ReSbO6	data_[Re2Sb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.2164] _cell_length_b [7.3823] _cell_length_c [5.3635] _c...			[ [], [] ]	[ 464, 0, 0 ]
mp-757085	Li2CrCoO4	data_[Li8Cr4Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8990] _cell_length_b [5.91...			[ [], [] ]	[ 495, 0, 0 ]
mp-1070264	La2Ni2I	data_[La2Ni2I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.1626] _cell_length_b [4.1626] _cell_length_c [8.9179] _cel...	data_[La6Ni6I3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.4877] _cell_length_b [4.1626] _cell_length_c [8.9179] _cell_...	data_[La4Ni4I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.1626] _cell_length_b [4.1626] _cell_length_c [17.8359] _cell_...	[ [ 3, 1, 1 ], [ 1, 1, 2 ] ]	[ 403, 743, 588 ]
mp-1025227	Rb2MgCl4	data_[Rb4Mg2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mg 1.3100 1.5000 0.8600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0588] _cell_length_b [5.0588] _cell_length_c [16.3851] ...			[ [], [] ]	[ 403, 0, 0 ]
mp-18198	ScSnPt	data_[Sc6Sn6Pt6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-62c] _cell_length_a [7.4533] _cell_length_b [7.4533] _cell_length_c [7.4304] _c...			[ [], [] ]	[ 401, 0, 0 ]
mp-1095424	Pr4Mn2As5	data_[Pr4Mn2As5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.8775 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.2157] _cell_length_b [4.2157] _cell_length_c [17.5817] _...	data_[Pr8Mn4As10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.8775 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.4314] _cell_length_b [4.2157] _cell_length_c [17.5817] _ce...	data_[Pr8Mn4As10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.8775 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2157] _cell_length_b [8.4314] _cell_length_c [17.5817] _ce...	[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]	[ 467, 963, 963 ]
mp-1102869	ZrSiIr	data_[Zr4Si4Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.5913] _cell_length_b [3.9895] _cell_length_c [7.4510] _ce...	data_[Zr8Si8Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [13.1827] _cell_length_b [3.9895] _cell_length_c [7.4510] _cel...	data_[Zr8Si8Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5913] _cell_length_b [3.9895] _cell_length_c [14.9020] _cel...	[ [ 2, 1, 1 ], [ 1, 1, 2 ] ]	[ 368, 1019, 1019 ]
mp-1206898	Y2InGe2	data_[Y4In2Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.4341] _cell_length_b [7.4341] _cell_length_c [4.1641] _ce...	data_[Y8In4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.4341] _cell_length_b [14.8682] _cell_length_c [4.1641] _cell_...	data_[Y8In4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [14.8682] _cell_length_b [7.4341] _cell_length_c [4.1641] _cell_...	[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]	[ 371, 897, 897 ]
mp-1113580	Rb2TmAgCl6	data_[Rb8Tm4Ag4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tm 1.2500 1.7500 1.0950 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.6961] _cell_length_b [...			[ [], [] ]	[ 439, 0, 0 ]
mp-21437	Fe2TeO6	data_[Fe4Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.6713] _cell_length_b [4.6713] _cell_length_c [9.2170] ...			[ [], [] ]	[ 404, 0, 0 ]

mp-1221227

Na3MnCoNiO6

data_[Na6Mn2Co2Ni2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.8775 Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

[ [], [] ]

[ 714, 0, 0 ]

mp-974729

Nd(Al2Cu)4

data_[Nd2Al16Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.9013] _cell_length_b [8.9013] _cell_length_c [5.1991] ...

[ [], [] ]

[ 406, 0, 0 ]

mp-1185360

LiMnIr2

data_[Li4Mn4Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.8775 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8894] _cell_length_b [5.8894] _cell_length_c [5.8894] _c...

[ [], [] ]

[ 370, 0, 0 ]

mp-1188861

LiCSN

data_[Li4C4S4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.3431] _cell_length_b [3.8588] ...

[ [], [] ]

[ 430, 0, 0 ]

mp-677272

La2EuS4

data_[La8Eu4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Eu 1.2000 1.8500 1.1985 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.7795] _cell_length_b [8.7795] _cell_length_c [8.7132] _ce...

[ [], [] ]

[ 374, 0, 0 ]

mp-1104517

Yb3Ga9Pt2

data_[Yb6Ga18Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Ga 1.8100 1.3000 0.7600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.2995] _cell_length_b [9.7147] _cell_length_c [12.3841] _...

[ [], [] ]

[ 467, 0, 0 ]

mp-561310

NaLiCO3

data_[Na3Li3C3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.4184] _cell_length_b [8.4184...

[ [], [] ]

[ 494, 0, 0 ]

mp-777964

Na2BiO3

data_[Na8Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0011] _cell_length_b [10.3518] _cell_length_c [5.9525] _ce...

[ [], [] ]

[ 467, 0, 0 ]

mp-1078776

InBiS3

data_[In2Bi2S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.6703] _cell_length_b [3.9358] _cell_length_c [9.9439] _ce...

data_[In4Bi4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [13.3407] _cell_length_b [3.9358] _cell_length_c [9.9439] _cell...

data_[In4Bi4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.6703] _cell_length_b [7.8715] _cell_length_c [9.9439] _cell_...

[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]

[ 431, 898, 897 ]

mp-1217581

TbAlNi4

data_[Tb2Al2Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.0138] _cell_length_b [8.4008] _cell_length_c [4.0044] _ce...

data_[Tb4Al4Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0138] _cell_length_b [16.8015] _cell_length_c [4.0044] _ce...

data_[Tb4Al4Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.0277] _cell_length_b [8.4008] _cell_length_c [4.0044] _ce...

[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]

[ 400, 1022, 1022 ]

mp-1226849

CdIn3Te4As

data_[Cd1In3Te4As1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3979] _cell_length_b [7.754...

data_[Cd2In6Te8As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.7958] _cell_length_b [7.75...

data_[Cd2In6Te8As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3979] _cell_length_b [15.50...

[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]

[ 585, 865, 865 ]

mp-1188441

TiCu4

data_[Ti4Cu16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.4982] _cell_length_b [4.3362] _cell_length_c [13.0316] _cell_angle_alpha [90.0000] _cell...

[ [], [] ]

[ 404, 0, 0 ]

mp-2400

NaS

data_[Na4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.5143] _cell_length_b [4.5143] _cell_length_c [10.2841] _cell_angle_alpha [90.0000] _cel...

data_[Na12S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.5143] _cell_length_b [4.5143] _cell_length_c [30.8524] _cell_angle_alpha [90.0000] _cell_an...

data_[Na8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.0286] _cell_length_b [4.5143] _cell_length_c [10.2841] _cell_angle_alpha [90.0000] _cell_angl...

[ [ 1, 1, 3 ], [ 2, 1, 1 ] ]

[ 341, 995, 742 ]

mp-755297

Li2CoO2

data_[Li2Co1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.1530] _cell_length_b [3.1530] _cell_length_c [5.1243] _cel...

data_[Li6Co3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.1530] _cell_length_b [9.4591] _cell_length_c [5.1243] _cell_a...

data_[Li4Co2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.1530] _cell_length_b [3.1530] _cell_length_c [10.2485] _cell_...

[ [ 1, 3, 1 ], [ 1, 1, 2 ] ]

[ 371, 742, 587 ]

mp-1112148

Cs2NaMoI6

data_[Cs8Na4Mo4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Mo 2.1600 1.4500 0.7750 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.0370] _cell_length_b [12...

[ [], [] ]

[ 439, 0, 0 ]

mp-20950

Nd(SiPt)2

data_[Nd2Si4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2516] _cell_length_b [4.2516] _cell_length_c [9.9866] _...

data_[Nd4Si8Pt8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.5031] _cell_length_b [4.2516] _cell_length_c [9.9866] _cell...

data_[Nd4Si8Pt8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2516] _cell_length_b [8.5031] _cell_length_c [9.9866] _cell...

[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]

[ 372, 897, 897 ]

mp-1019278

TbGeAu

data_[Tb2Ge2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.4847] _cell_length_b [4.4847] _cell_length_c [7.3816] _...

data_[Tb8Ge8Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.9694] _cell_length_b [4.4847] _cell_length_c [14.7632] _cel...

data_[Tb4Ge4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4847] _cell_length_b [4.4847] _cell_length_c [14.7632] _cel...

[ [ 2, 1, 2 ], [ 1, 1, 2 ] ]

[ 370, 1020, 648 ]

mp-547792

KSbO3

data_[K6Sb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.4752] _cell_length_b [5.4752] _cell_length_c [18.6373] _cell_...

[ [], [] ]

[ 375, 0, 0 ]

mp-16341

Li2HgGe

data_[Li8Hg4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.4742] _cell_length_b [6.4742] _cell_length_c [6.4742] _c...

[ [], [] ]

[ 370, 0, 0 ]

mp-1215947

YLu(BIr)8

data_[Y1Lu1B8Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Lu 1.2700 1.7500 1.0010 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.3975] _cell_length_b [5.3975...

[ [], [] ]

[ 495, 0, 0 ]

mp-1224950

FeCoSb4

data_[Fe1Co1Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.7418] _cell_length_b [3.2708] _cell_length_c [6.4742] _ce...

data_[Fe4Co4Sb16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.7418] _cell_length_b [6.5417] _cell_length_c [12.9485] _ce...

data_[Fe2Co2Sb8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.7418] _cell_length_b [6.5417] _cell_length_c [6.4742] _cell...

[ [ 1, 2, 2 ], [ 1, 2, 1 ] ]

[ 400, 1022, 647 ]

mp-867272

LiAlCu2

data_[Li4Al4Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8781] _cell_length_b [5.8781] _cell_length_c [5.8781] _c...

[ [], [] ]

[ 370, 0, 0 ]

mp-1185774

Mg2Sc

data_[Mg8Sc4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2597] _cell_length_b [16.5897] _cell_length_c [5.1787] _cell_angle_alpha [90.0000] _cell_...

data_[Mg16Sc8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.2597] _cell_length_b [16.5897] _cell_length_c [10.3574] _cell_angle_alpha [90.0000] _cell_...

data_[Mg16Sc8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5193] _cell_length_b [16.5897] _cell_length_c [5.1787] _cell_angle_alpha [90.0000] _cell_a...

[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]

[ 340, 993, 992 ]

mp-776164

LiFeF4

data_[Li2Fe2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6494] _cell_length_b [4.7727] _cell_length_c [5.6591] _ce...

data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [11.2988] _cell_length_b [4.7727] _cell_length_c [5.6591] _cell...

data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6494] _cell_length_b [9.5455] _cell_length_c [5.6591] _cell_...

[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]

[ 401, 1023, 1022 ]

mp-30875

Ti2Sn

data_[Ti4Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.7532] _cell_length_b [4.7532] _cell_length_c [5.6418] _cell_angle_alpha [90.0000] _ce...

data_[Ti16Sn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.7532] _cell_length_b [9.5065] _cell_length_c [11.2836] _cell_angle_alpha [90.0000] _cell_a...

data_[Ti8Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.7532] _cell_length_b [4.7532] _cell_length_c [11.2836] _cell_angle_alpha [90.0000] _cell_an...

[ [ 1, 2, 2 ], [ 1, 1, 2 ] ]

[ 341, 993, 619 ]

mp-15822

LiSmGe

data_[Li3Sm3Ge3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.2231] _cell_length_b [7.2231] _cell_length_c [4.3344] _c...

data_[Li6Sm6Ge6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [14.4462] _cell_length_b [7.2231] _cell_length_c [4.3344] _cel...

data_[Li6Sm6Ge6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.2231] _cell_length_b [7.2231] _cell_length_c [8.6688] _cell...

[ [ 2, 1, 1 ], [ 1, 1, 2 ] ]

[ 401, 834, 833 ]

mp-1111567

K2ScTlF6

data_[K8Sc4Tl4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3473] _cell_length_b [9.347...

[ [], [] ]

[ 435, 0, 0 ]

mp-684705

CaLaMnMoO6

data_[Ca2La2Mn2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.8775 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...

[ [], [] ]

[ 648, 0, 0 ]

mp-2832

Cr2Se3

data_[Cr12Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.3592] _cell_length_b [6.3592] _cell_length_c [17.6831] _cell_angle_alpha [90.0000] _cell...

[ [], [] ]

[ 380, 0, 0 ]

mp-865364

DyTaRu2

data_[Dy4Ta4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ta 1.5000 1.4500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5493] _cell_length_b [6.5493] _cell_length_c [6.5493] _c...

[ [], [] ]

[ 370, 0, 0 ]

mp-12571

HfBeSi

data_[Hf2Be2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.7080] _cell_length_b [3.7080] _cell_length_c [7.1347]...

data_[Hf8Be8Si8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7080] _cell_length_b [7.4159] _cell_length_c [14.2693] _cel...

data_[Hf4Be4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7080] _cell_length_b [3.7080] _cell_length_c [14.2693] _cel...

[ [ 1, 2, 2 ], [ 1, 1, 2 ] ]

[ 369, 1020, 648 ]

mp-1225679

ErGaNi

data_[Er4Ga4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.6586] _cell_length_b [4.1784] _cell_length_c [6.7770] _ce...

data_[Er8Ga8Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6586] _cell_length_b [4.1784] _cell_length_c [13.5539] _cel...

data_[Er8Ga8Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6586] _cell_length_b [8.3567] _cell_length_c [6.7770] _cell...

[ [ 1, 1, 2 ], [ 1, 2, 1 ] ]

[ 369, 1020, 1019 ]

mp-1102038

MgH2

data_[Mg4H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [4.8232] _cell_length_b [4.8232] _cell_length_c [4.8232] _cell_angle_alpha [90.0000] _cell_ang...

data_[Mg8H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.8232] _cell_length_b [9.6465] _cell_length_c [4.8232] _cell_angle_alpha [90.0000] _cell_angl...

data_[Mg8H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6465] _cell_length_b [4.8232] _cell_length_c [4.8232] _cell_angle_alpha [90.0000] _cell_angl...

[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]

[ 309, 991, 991 ]

mp-1187002

Sm2MgCd

data_[Sm8Mg4Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.6581] _cell_length_b [7.6581] _cell_length_c [7.6581] _c...

[ [], [] ]

[ 370, 0, 0 ]

mp-15634

Cs2NaTiF6

data_[Cs12Na6Ti6F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.3868] _cell_length_b [6.3...

[ [], [] ]

[ 536, 0, 0 ]

mp-1667

Co2Ge

data_[Co4Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.0053] _cell_length_b [4.0053] _cell_length_c [5.0150] _cell_angle_alpha [90.0000] _ce...

data_[Co16Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [16.0211] _cell_length_b [4.0053] _cell_length_c [5.0150] _cell_angle_alpha [90.0000] _cell_a...

data_[Co12Ge6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.0158] _cell_length_b [4.0053] _cell_length_c [5.0150] _cell_angle_alpha [90.0000] _cell_a...

[ [ 4, 1, 1 ], [ 3, 1, 1 ] ]

[ 340, 993, 807 ]

mp-29337

Tl3BS3

data_[Tl6B2S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.7899] _cell_length_b [9.9908] _cell_length_c [6.7377] _cell...

[ [], [] ]

[ 432, 0, 0 ]

mp-1102002

FeTe2

data_[Fe4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [6.2713] _cell_length_b [6.2713] _cell_length_c [6.2713] _cell_angle_alpha [90.0000] _cell_a...

data_[Fe8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.2713] _cell_length_b [6.2713] _cell_length_c [12.5427] _cell_angle_alpha [90.0000] _cell_a...

data_[Fe8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.5427] _cell_length_b [6.2713] _cell_length_c [6.2713] _cell_angle_alpha [90.0000] _cell_a...

[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]

[ 309, 992, 992 ]

mp-22592

CaTi4(CuO4)3

data_[Ca2Ti8Cu6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Im-3] _cell_length_a [7.4601] _cell_length_b [7.46...

[ [], [] ]

[ 438, 0, 0 ]

mp-4482

NaSbO3

data_[Na6Sb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.3836] _cell_length_b [5.3836] _cell_length_c [16.2563] _cel...

[ [], [] ]

[ 375, 0, 0 ]

mp-867135

ScZnPd2

data_[Sc4Zn4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.3848] _cell_length_b [6.3848] _cell_length_c [6.3848] _c...

[ [], [] ]

[ 370, 0, 0 ]

mp-1225810

Cu2SiTe3

data_[Cu4Si2Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.2527] _cell_length_b [12.5882] _cell_length_c [5.9445] _c...

data_[Cu8Si4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2527] _cell_length_b [12.5882] _cell_length_c [11.8891] _c...

data_[Cu8Si4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.5055] _cell_length_b [12.5882] _cell_length_c [5.9445] _ce...

[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]

[ 402, 1024, 1023 ]

mp-1103663

Sr3TaHO6

data_[Sr6Ta2H2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.4742] _cell_length_b [8.6482] ...

[ [], [] ]

[ 588, 0, 0 ]

mp-1227942

BaGaGe

data_[Ba1Ga1Ge1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.4069] _cell_length_b [4.4069] _cell_length_c [5.1044] _c...

data_[Ba4Ga4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4069] _cell_length_b [4.4069] _cell_length_c [20.4177] _cel...

data_[Ba3Ga3Ge3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [13.2207] _cell_length_b [4.4069] _cell_length_c [5.1044] _cel...

[ [ 1, 1, 4 ], [ 3, 1, 1 ] ]

[ 369, 648, 555 ]

mp-1206487

Yb(CdAs)2

data_[Yb1Cd2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4417] _cell_length_b [4.4417] _cell_length_c [7.1522] _c...

data_[Yb4Cd8As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4417] _cell_length_b [8.8835] _cell_length_c [14.3043] _cel...

data_[Yb2Cd4As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4417] _cell_length_b [4.4417] _cell_length_c [14.3043] _cel...

[ [ 1, 2, 2 ], [ 1, 1, 2 ] ]

[ 373, 899, 589 ]

mp-1224823

GaGePt6

data_[Ga2Ge2Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [5.5847] _cell_length_b [5.5847] _cell_length_c [7.9502] _...

[ [], [] ]

[ 403, 0, 0 ]

mp-643814

Zn2SiH2O5

data_[Zn8Si4H8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [8.5161] _cell_length_b [10.881...

[ [], [] ]

[ 590, 0, 0 ]

mp-568529

PrMg2Ni9

data_[Pr3Mg6Ni27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.8964] _cell_length_b [4.8964] _cell_length_c [23.6058] _...

[ [], [] ]

[ 440, 0, 0 ]

mp-10626

Yb(SiRh)2

data_[Yb2Si4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1003] _cell_length_b [4.1003] _cell_length_c [9.9349] _...

data_[Yb4Si8Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.2005] _cell_length_b [4.1003] _cell_length_c [9.9349] _cell...

data_[Yb4Si8Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.1003] _cell_length_b [4.1003] _cell_length_c [19.8697] _cel...

[ [ 2, 1, 1 ], [ 1, 1, 2 ] ]

[ 372, 897, 898 ]

mp-759676

V4O7F5

data_[V8O14F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.1959] _cell_length_b [5.2182] _cell_length_c [8.7779] _cell_ang...

[ [], [] ]

[ 561, 0, 0 ]

mp-754736

BaSr3I8

data_[Ba2Sr6I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.1436] _cell_length_b [8.1436] _cell_length_c [16.3250] _...

[ [], [] ]

[ 407, 0, 0 ]

mp-862287

BeAlRh2

data_[Be4Al4Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Al 1.6100 1.2500 0.6750 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8165] _cell_length_b [5.8165] _cell_length_c [5.8165] _c...

[ [], [] ]

[ 370, 0, 0 ]

mp-1185135

KBr3

data_[K2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.4509] _cell_length_b [6.4509] _cell_length_c [7.7155] _cell_angle_alpha [90.0000] _cell...

data_[K6Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [19.3527] _cell_length_b [6.4509] _cell_length_c [7.7155] _cell_angle_alpha [90.0000] _cell_ang...

data_[K4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.9018] _cell_length_b [6.4509] _cell_length_c [7.7155] _cell_angle_alpha [90.0000] _cell_ang...

[ [ 3, 1, 1 ], [ 2, 1, 1 ] ]

[ 310, 993, 745 ]

mp-676315

Y2GeI2

data_[Y6Ge3I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2632] _cell_length_b [4.2632] _cell_length_c [32.2112] _cell_...

[ [], [] ]

[ 373, 0, 0 ]

mp-550220

CoGeO3

data_[Co8Ge8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.8160] _cell_length_b [9.0963] _cell_length_c [5.1923] _cell_...

[ [], [] ]

[ 652, 0, 0 ]

mp-571044

CeSi2Ir3

data_[Ce1Si2Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [5.5817] _cell_length_b [5.5817] _cell_length_c [3.7246] _...

data_[Ce3Si6Ir9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [16.7452] _cell_length_b [5.5817] _cell_length_c [3.7246] _cel...

data_[Ce2Si4Ir6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5817] _cell_length_b [11.1635] _cell_length_c [3.7246] _cel...

[ [ 3, 1, 1 ], [ 1, 2, 1 ] ]

[ 372, 836, 650 ]

mp-766870

Mn5O9F

data_[Mn5O9F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.8775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0753] _cell_length_b [5.1151] _cell_length_c [7.8445] _cell_ang...

[ [], [] ]

[ 746, 0, 0 ]

mp-552963

Pr2Ti2S2O5

data_[Pr4Ti4S4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8889] _cell_length_b [3.88...

[ [], [] ]

[ 468, 0, 0 ]

mp-1025252

Cs2MnCl4

data_[Cs4Mn2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mn 1.5500 1.4000 0.8775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.2252] _cell_length_b [5.2252] _cell_length_c [17.0796] ...

[ [], [] ]

[ 403, 0, 0 ]

mp-570668

LaSe2

data_[La4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.6381] _cell_length_b [4.2801] _cell_length_c [8.5628] _cell_angle_alpha [90.0000] _cell...

data_[La8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.6381] _cell_length_b [4.2801] _cell_length_c [17.1255] _cell_angle_alpha [90.0000] _cell_a...

data_[La8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [17.2762] _cell_length_b [4.2801] _cell_length_c [8.5628] _cell_angle_alpha [90.0000] _cell_a...

[ [ 1, 1, 2 ], [ 2, 1, 1 ] ]

[ 339, 992, 992 ]

mp-973935

OsN2

data_[Os1N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [2.8242] _cell_length_b [2.8242] _cell_length_c [4.9643] _cell_angle_alpha [90.0000] _cell_a...

data_[Os6N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6484] _cell_length_b [2.8242] _cell_length_c [14.8930] _cell_angle_alpha [90.0000] _cell_ang...

data_[Os4N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.8242] _cell_length_b [5.6484] _cell_length_c [9.9286] _cell_angle_alpha [90.0000] _cell_angle...

[ [ 2, 1, 3 ], [ 1, 2, 2 ] ]

[ 309, 807, 618 ]

mp-1217143

Ti3AgS6

data_[Ti9Ag3S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.9423] _cell_length_b [5.9423] _cell_length_c [19.3781] _cel...

[ [], [] ]

[ 408, 0, 0 ]

mp-1206941

Rb(CoP)2

data_[Rb2Co4P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7012] _cell_length_b [3.7012] _cell_length_c [13.9374] _c...

data_[Rb4Co8P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7012] _cell_length_b [7.4024] _cell_length_c [13.9374] _cell_...

data_[Rb4Co8P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.7012] _cell_length_b [3.7012] _cell_length_c [27.8749] _cell_...

[ [ 1, 2, 1 ], [ 1, 1, 2 ] ]

[ 373, 898, 898 ]

mp-567807

TmZrSb

data_[Tm4Zr4Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zr 1.3300 1.5500 0.8600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2590] _cell_length_b [4.2590] _cell_length_c [16.4333] ...

data_[Tm8Zr8Sb8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zr 1.3300 1.5500 0.8600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2590] _cell_length_b [8.5181] _cell_length_c [16.4333] _cel...

data_[Tm8Zr8Sb8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zr 1.3300 1.5500 0.8600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.5181] _cell_length_b [4.2590] _cell_length_c [16.4333] _cel...

[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]

[ 370, 1019, 1019 ]

mp-862259

Sc3Al

data_[Sc6Al2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.3148] _cell_length_b [6.3148] _cell_length_c [5.0477] _cell_angle_alpha [90.0000] _ce...

data_[Sc18Al6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3148] _cell_length_b [18.9444] _cell_length_c [5.0477] _cell_angle_alpha [90.0000] _cell_a...

data_[Sc12Al4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3148] _cell_length_b [6.3148] _cell_length_c [10.0954] _cell_angle_alpha [90.0000] _cell_a...

[ [ 1, 3, 1 ], [ 1, 1, 2 ] ]

[ 310, 993, 745 ]

mvc-15303

ReSbO6

data_[Re2Sb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.2164] _cell_length_b [7.3823] _cell_length_c [5.3635] _c...

[ [], [] ]

[ 464, 0, 0 ]

mp-757085

Li2CrCoO4

data_[Li8Cr4Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8990] _cell_length_b [5.91...

[ [], [] ]

[ 495, 0, 0 ]

mp-1070264

La2Ni2I

data_[La2Ni2I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.1626] _cell_length_b [4.1626] _cell_length_c [8.9179] _cel...

data_[La6Ni6I3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [12.4877] _cell_length_b [4.1626] _cell_length_c [8.9179] _cell_...

data_[La4Ni4I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.1626] _cell_length_b [4.1626] _cell_length_c [17.8359] _cell_...

[ [ 3, 1, 1 ], [ 1, 1, 2 ] ]

[ 403, 743, 588 ]

mp-1025227

Rb2MgCl4

data_[Rb4Mg2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mg 1.3100 1.5000 0.8600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0588] _cell_length_b [5.0588] _cell_length_c [16.3851] ...

[ [], [] ]

[ 403, 0, 0 ]

mp-18198

ScSnPt

data_[Sc6Sn6Pt6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-62c] _cell_length_a [7.4533] _cell_length_b [7.4533] _cell_length_c [7.4304] _c...

[ [], [] ]

[ 401, 0, 0 ]

mp-1095424

Pr4Mn2As5

data_[Pr4Mn2As5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.8775 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.2157] _cell_length_b [4.2157] _cell_length_c [17.5817] _...

data_[Pr8Mn4As10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.8775 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.4314] _cell_length_b [4.2157] _cell_length_c [17.5817] _ce...

data_[Pr8Mn4As10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.8775 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2157] _cell_length_b [8.4314] _cell_length_c [17.5817] _ce...

[ [ 2, 1, 1 ], [ 1, 2, 1 ] ]

[ 467, 963, 963 ]

mp-1102869

ZrSiIr

data_[Zr4Si4Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.5913] _cell_length_b [3.9895] _cell_length_c [7.4510] _ce...

data_[Zr8Si8Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [13.1827] _cell_length_b [3.9895] _cell_length_c [7.4510] _cel...

data_[Zr8Si8Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5913] _cell_length_b [3.9895] _cell_length_c [14.9020] _cel...

[ [ 2, 1, 1 ], [ 1, 1, 2 ] ]

[ 368, 1019, 1019 ]

mp-1206898

Y2InGe2

data_[Y4In2Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.4341] _cell_length_b [7.4341] _cell_length_c [4.1641] _ce...

data_[Y8In4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.4341] _cell_length_b [14.8682] _cell_length_c [4.1641] _cell_...

data_[Y8In4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [14.8682] _cell_length_b [7.4341] _cell_length_c [4.1641] _cell_...

[ [ 1, 2, 1 ], [ 2, 1, 1 ] ]

[ 371, 897, 897 ]

mp-1113580

Rb2TmAgCl6

data_[Rb8Tm4Ag4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tm 1.2500 1.7500 1.0950 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.6961] _cell_length_b [...

[ [], [] ]

[ 439, 0, 0 ]

mp-21437

Fe2TeO6

data_[Fe4Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.6713] _cell_length_b [4.6713] _cell_length_c [9.2170] ...

[ [], [] ]

[ 404, 0, 0 ]