c-bone/mpdb-2prop_clean · Datasets at Hugging Face

Database stringclasses 1 value	Reduced Formula stringlengths 1 25	CIF stringlengths 762 8.74k	Bandgap (eV) stringlengths 3 6	Energy Above Hull (eV) stringlengths 3 5	norm_Bandgap (eV) stringlengths 3 6	norm_Energy Above Hull (eV) stringlengths 3 6
MP	YN3O14	data_[Y2N6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1567] _cell_length_b [9.3313] _cell_length_c [9.8796] _cell_ang...	0.012	0.468	0.0122	0.2831
MP	K3VSO3	data_[K6V2S2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.7066] _cell_length_b [5.9938] _...	3.138	0.0	0.5589	0.0
MP	H3CO3	data_[H12C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1012] _cell_length_b [3.5917] _cell_length_c [11.8907] _cel...	3.373	0.066	0.5763	0.0675
MP	Fe3P8H26NO36	data_[Fe12P32H104N4O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_...	1.393	0.24	0.3785	0.1781
MP	SiO2	data_[Si36O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.8484] _cell_length_b [8.7170] _cell_length_c [19.1509] _cell_angle_alpha [90.0000] _cell...	5.872	0.037	0.7136	0.0429
MP	MnP2O7	data_[Mn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.2660] _cell_length_b [9.6641] _cell_length_c [10.6313] _cell_...	0.562	0.073	0.2213	0.0729
MP	SrTi7N10	data_[Sr2Ti14N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.3780] _cell_length_b [7.3924] _cell_length_c [10.9593] _cel...	1.631	0.137	0.4111	0.1179
MP	LiCuSi2O5	data_[Li2Cu2Si4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.7366] _cell_length_b [4.93...	2.092	0.099	0.4651	0.0922
MP	In3Te3Br	data_[In12Te12Br4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.9120] _cell_length_b [4.4232] _cell_length_c [21.0494]...	1.304	0.0	0.3653	0.0
MP	Rb3Ta2S11	data_[Rb12Ta8S44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.0137] _cell_length_b [8.1499] _cell_length_c [19.6765]...	1.693	0.0	0.419	0.0
MP	CaSiSnO5	data_[Ca4Si4Sn4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.7953] _cell_length_b [8.99...	3.231	0.008	0.5659	0.0128
MP	Li12Mn2O9	data_[Li12Mn2O9] 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 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6744] _cell_length_b [5.7643] _cell_length_c [8.1624] _cell_...	0.943	0.07	0.3043	0.0706
MP	OsO2F3	data_[Os4O8F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.6933] _cell_length_b [5.2378] _cell_length_c [12.6546] _cell_a...	0.574	0.021	0.2243	0.0275
MP	Cs2HgBr4	data_[Cs8Hg4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hg 2.0000 1.5000 1.2450 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1591] _cell_length_b [10.5024] _cell_length_c [16.5772...	2.491	0.003	0.5047	0.0058
MP	In2O3	data_[In12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [5.5856] _cell_length_b [5.5856] _cell_length_c [14.7482] _cell_angle_alpha [90.0000] _cell_...	0.959	0.021	0.3073	0.0275
MP	AlInN2	data_[Al4In4N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [5.7631] _cell_length_b [6.7004] _cell_length_c [5.4111] _ce...	1.519	0.017	0.3962	0.0232
MP	Mn2Be3(SiO4)3	data_[Mn8Be12Si12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0168] _cell_length_b [...	0.224	0.156	0.1175	0.1299
MP	NaMn(PO3)3	data_[Na4Mn4P12O36] 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 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.7927] _cell_length_b ...	4.543	0.008	0.6492	0.0128
MP	MnF4	data_[Mn2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [4.8076] _cell_length_b [9.3087] _cell_length_c [2.9614] _cell_angle_alpha [90.0000] _cell_ang...	0.928	0.094	0.3015	0.0886
MP	K3FeF3	data_[K6Fe2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.9421] _cell_length_b [6.1746] _cell_length_c [10.0830] _cell_an...	0.801	0.558	0.2762	0.3177
MP	CdIn2O4	data_[Cd8In16O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [9.3307] _cell_length_b [9.3307] _cell_length_c [9.3307] _c...	0.914	0.0	0.2988	0.0
MP	Li3V4FeO12	data_[Li3V4Fe1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0425] _cell_length_b [5.3541] ...	1.363	0.074	0.3742	0.0737
MP	Li2FeSiO4	data_[Li8Fe4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.3249] _cell_length_b [5....	3.348	0.001	0.5745	0.0024
MP	Cs3CoBr5	data_[Cs12Co4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [9.9273] _cell_length_b [9.9273] _cell_length_c [15.2955...	0.698	0.0	0.2538	0.0
MP	Li6V5O12	data_[Li12V10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1855] _cell_length_b [8.8055] _cell_length_c [9.9260] _cell_...	0.725	0.049	0.2599	0.0535
MP	Li8CoO5F	data_[Li16Co2O10F2] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5593] _cell_length_b [5.5744]...	1.709	0.029	0.421	0.0354
MP	Pr(HoS2)3	data_[Pr2Ho6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ho 1.2300 1.7500 1.0410 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.0853] _cell_length_b [3.9865] _cell_length_c [11.3131] ...	1.021	0.0	0.3187	0.0
MP	Ta2VRe	data_[Ta4V2Re2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Re 1.9000 1.3500 0.7125 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.2439] _cell_length_b [10.8762] _cell_length_c [15.5276] _ce...	0.183	4.989	0.1014	0.9701
MP	As3P3Pb10(ClO12)2	data_[As3P3Pb10Cl2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6] _cell_length_a...	3.123	0.004	0.5578	0.0073
MP	Cs2KLaCl6	data_[Cs8K4La4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6235] _cell_length_b [11...	4.842	0.018	0.6651	0.0243
MP	Li3CoO2F	data_[Li12Co4O8F4] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [8.5417] _cell_length_b [9.7343...	1.367	0.061	0.3747	0.0635
MP	Na3Mn2P2(CO7)2	data_[Na6Mn4P4C4O28] 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 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	0.113	0.009	0.0707	0.014
MP	Mn3V6(FeO6)4	data_[Mn3V6Fe4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7885] _cell_length_b [8.3098]...	1.456	0.005	0.3875	0.0088
MP	Ge2N2O	data_[Ge8N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4688] _cell_length_b [5.6192] _cell_length_c [10.4761] _cell_an...	1.735	0.107	0.4242	0.0978
MP	Pr8Br13N3O	data_[Pr32Br52N12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [22.2924] _cell_length_b [8.538...	3.133	0.0	0.5586	0.0
MP	Na2AlFeF7	data_[Na32Al16Fe16F112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.5785] _cell_length_b ...	3.364	0.011	0.5756	0.0164
MP	CrBiO3	data_[Cr8Bi8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.6343] _cell_length_b [5.5832] _cell_length_c [9.7636] _cel...	1.294	0.023	0.3638	0.0295
MP	Li3AlMo2(AsO7)2	data_[Li3Al1Mo2As2O14] 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 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...	2.89	0.016	0.5394	0.0221
MP	LiP4(RuO7)2	data_[Li1P4Ru2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8606] _cell_length_b [7.0111]...	0.031	0.014	0.0259	0.0199
MP	Cu2(ReSe2)3	data_[Cu16Re24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Re 1.9000 1.3500 0.7125 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.7608] _cell_length_b [9.9710] _cell_length_c [12.2142...	0.198	0.07	0.1074	0.0706
MP	LiSiBiO4	data_[Li12Si12Bi12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.5501] _cell_length_b ...	3.035	0.069	0.551	0.0698
MP	LiSn2(PO4)3	data_[Li2Sn4P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.5502] _cell_length_b [8.5640]...	3.485	0.0	0.5841	0.0
MP	K2NbO3F	data_[K4Nb2O6F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [4.0139] _cell_length_b [4.0139] _...	1.258	0.003	0.3582	0.0058
MP	Tb2EuS4	data_[Tb8Eu4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 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 [8.4744] _cell_length_b [8.4744] _cell_length_c [8.4261] _ce...	0.455	0.019	0.1926	0.0254
MP	Rb2MoAs2O9	data_[Rb4Mo2As4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.6661] _cell_length_b [7.793...	2.761	0.0	0.5286	0.0
MP	Ba2HoTaO6	data_[Ba8Ho4Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5193] _cell_length_b [8.5...	3.378	0.001	0.5766	0.0024
MP	NaMn3O6	data_[Na16Mn48O96] 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 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.4128] _cell_length_b [8.5781] _cell_length_c [26.2409] _...	0.703	0.056	0.255	0.0594
MP	CsSiSbO5	data_[Cs16Si16Sb16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [19.9493] _cell_length_b [...	2.192	0.0	0.4756	0.0
MP	LiMg14MnO16	data_[Li1Mg14Mn1O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.4836] _cell_length_b [8...	0.446	0.022	0.1901	0.0285
MP	MgSnP2	data_[Mg4Sn4P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.9222] _cell_length_b [5.9222] _cell_length_c [11.6499] _ce...	1.214	0.01	0.3513	0.0152
MP	Ce2Ta2O9	data_[Ce4Ta4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.5385] _cell_length_b [3.8641] _cell_length_c [15.6370] _...	1.532	0.059	0.398	0.0618
MP	FeSi7N10	data_[Fe2Si14N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.6940] _cell_length_b [6.8990] _cell_length_c [9.7161] _cell...	0.857	0.184	0.2876	0.1468
MP	Ca4GeN4	data_[Ca16Ge4N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.3056] _cell_length_b [6.0721] _cell_length_c [11.2154] ...	1.409	0.0	0.3808	0.0
MP	Li2CrPCO7	data_[Li4Cr2P2C2O14] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	3.029	0.013	0.5505	0.0188
MP	Li6Cu9(PO4)8	data_[Li6Cu9P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.7281] _cell_length_b [8.9196]...	0.39	0.025	0.1736	0.0315
MP	Ho2P4O13	data_[Ho8P16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.0525] _cell_length_b [17.5704] _cell_length_c [8.6055] _c...	5.632	0.003	0.7031	0.0058
MP	RbSr2Cl5	data_[Rb4Sr8Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sr 0.9500 2.0000 1.3200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.0950] _cell_length_b [8.0391] _cell_length_c [13.0330]...	5.204	0.0	0.6832	0.0
MP	Na8Hf(MoO4)6	data_[Na16Hf2Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9120] _cell_length_b [...	4.07	0.008	0.622	0.0128
MP	Li3FeAsCO7	data_[Li6Fe2As2C2O14] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	2.716	0.048	0.5248	0.0526
MP	BeCr2O4	data_[Be4Cr8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9843] _cell_length_b [5.7801] _cell_length_c [4.6141] _cel...	2.837	0.0	0.535	0.0
MP	Ni(TeO3)4	data_[Ni1Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1377] _cell_length_b [5.5765] _cell_length_c [7.6366] _cell_...	0.268	0.087	0.1336	0.0835
MP	Li4TiFe3O8	data_[Li4Ti1Fe3O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0908] _cell_length_b [5.6612]...	1.49	0.042	0.3923	0.0474
MP	Na6TeMo6(H22O23)2	data_[Na6Te1Mo6H44O46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a...	3.324	0.024	0.5727	0.0305
MP	Eu2HoTaO6	data_[Eu8Ho4Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.3878] _cell_length_b [8.3...	0.636	0.093	0.2395	0.0879
MP	PrF3	data_[Pr6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [7.1465] _cell_length_b [7.1465] _cell_length_c [7.3345] _cell_angle_alpha [90.0000] _cell_a...	7.597	0.0	0.7792	0.0
MP	Y2AgSb3	data_[Y2Ag1Sb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [9.0965] _cell_length_b [9.0965] _cell_length_c [40.0219] _c...	0.161	3.081	0.0922	0.7999
MP	Rb2Mo3O10	data_[Rb8Mo12O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.5859] _cell_length_b [8.3757] _cell_length_c [9.3684] _c...	3.398	0.0	0.578	0.0
MP	SrB4O7	data_[Sr9B36O63] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [17.3023] _cell_length_b [17.3023] _cell_length_c [4.2958] _cell...	5.177	0.009	0.6819	0.014
MP	Na4Zn3Se5	data_[Na16Zn12Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.7818] _cell_length_b [4.1343] _cell_length_c [19.6858...	1.128	0.001	0.3372	0.0024
MP	Hg3SbAsS3	data_[Hg12Sb4As4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.9774] _cell_length_b [...	1.659	0.005	0.4147	0.0088
MP	Ba2H6Pt	data_[Ba8H24Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.5327] _cell_length_b [6.0303] _cell_length_c [6.0292] _ce...	1.759	0.0	0.4272	0.0
MP	Nb2Ge2O7	data_[Nb8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.9400] _cell_length_b [26.7538] _cell_length_c [5.8704] _...	1.541	0.119	0.3992	0.106
MP	KTe	data_[K6Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [9.6785] _cell_length_b [9.6785] _cell_length_c [6.5046] _cell_angle_alpha [90.0000] _cell_an...	0.213	0.004	0.1133	0.0073
MP	Li3Mn(PO4)2	data_[Li6Mn2P4O16] 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 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.7953] _cell_length_b [5.90...	0.26	0.028	0.1308	0.0345
MP	Cs2CdBi2S5	data_[Cs8Cd4Bi8S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [16.0927] _cell_length_b [4.2...	1.731	0.0	0.4237	0.0
MP	Na2Si2O5	data_[Na16Si16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.9059] _cell_length_b [24.2630] _cell_length_c [8.2217]...	4.45	0.004	0.6441	0.0073
MP	La2MnCrO6	data_[La4Mn2Cr2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6309] _cell_length_b [5.721...	0.973	0.082	0.3099	0.0798
MP	CaH12(BrO3)2	data_[Ca1H12Br2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [8.1493] _cell_length_b [8.1493...	4.137	0.009	0.626	0.014
MP	Ba3V2O8	data_[Ba9V6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.9002] _cell_length_b [5.9002] _cell_length_c [21.5929] _cell...	3.747	0.0	0.6018	0.0
MP	Si10BiTe2H73C25	data_[Si40Bi4Te8H292C100] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_le...	1.94	0.057	0.4484	0.0602
MP	RbHfF5	data_[Rb8Hf8F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hf 1.3000 1.5500 0.8500 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [13.5592] _cell_length_b [8.0025] _cell_length_c [7.9958] _ce...	6.8	0.0	0.7509	0.0
MP	RbSeO4	data_[Rb6Se6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [20.5375] _cell_length_b [7.7266] _cell_length_c [4.5456] _cell...	0.506	0.133	0.2067	0.1153
MP	Ca10V6O25	data_[Ca10V6O25] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.0600] _cell_length_b [10.0600] _cell_length_c [6.9598] _cell...	2.349	0.006	0.4913	0.0101
MP	AsC4S2Cl2O2F13	data_[As4C16S8Cl8O8F52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_n...	3.092	0.264	0.5554	0.1907
MP	KGaH4	data_[K4Ga4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1684] _cell_length_b [5.6439] _cell_length_c [7.3428] _cell_...	4.937	0.0	0.67	0.0
MP	CuAgAs2H3O8	data_[Cu4Ag4As8H12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	0.496	0.008	0.204	0.0128
MP	LiCo2OF5	data_[Li8Co16O8F40] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.4783] _cell_length_b [6.4721]...	0.882	0.094	0.2926	0.0886
MP	Dy9Al5Se21	data_[Dy54Al30Se126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [17.6829] _cell_length_b [17.6829] _cell_length_c [18.7990...	1.543	0.016	0.3995	0.0221
MP	SrCO3	data_[Sr4C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.1369] _cell_length_b [5.1632] _cell_length_c [8.5113] _cell_...	4.442	0.0	0.6436	0.0
MP	Ca2V3O8	data_[Ca4V6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.2708] _cell_length_b [6.2455] _cell_length_c [4.9704] _cell...	1.496	0.0	0.3931	0.0
MP	CdCo(PO3)4	data_[Cd4Co4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.2170] _cell_length_b [8.67...	2.55	0.0	0.5101	0.0
MP	Bi13Pb3Cl7O19	data_[Bi26Pb6Cl14O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [30.2115] _cell_length_b [4.0...	0.567	0.065	0.2225	0.0667
MP	Cu4P2O9	data_[Cu16P8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.1551] _cell_length_b [6.3810] _cell_length_c [13.6342] _cel...	0.068	0.003	0.0479	0.0058
MP	LiFe2(PO4)3	data_[Li4Fe8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.7249] _cell_length_b [12.8...	0.069	0.122	0.0484	0.108
MP	Mo(NO4)2	data_[Mo4N8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.6699] _cell_length_b [5.4034] _cell_length_c [15.3594] _ce...	2.821	0.0	0.5337	0.0
MP	YO2	data_[Y4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.4498] _cell_length_b [6.6133] _cell_length_c [6.1102] _cell_angle_alpha [90.0000] _cell_angle...	0.334	0.281	0.156	0.1993
MP	Mn4Nb2O9	data_[Mn8Nb4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [5.3878] _cell_length_b [5.3878] _cell_length_c [14.5319] _c...	0.015	0.0	0.0146	0.0
MP	LiMn3(BO3)3	data_[Li2Mn6B6O18] 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 0.6483 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2307] _cell_length_b [6.1939] ...	0.46	0.094	0.194	0.0886
MP	Li2Fe3SnO8	data_[Li4Fe6Sn2O16] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8927] _cell_length_b [6.068...	0.11	0.065	0.0692	0.0667
MP	KTh2F9	data_[K4Th8F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Th 1.3000 1.8000 1.0800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.9408] _cell_length_b [11.8309] _cell_length_c [7.2577] _cell...	6.442	0.0	0.7371	0.0

MP

YN3O14

data_[Y2N6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1567] _cell_length_b [9.3313] _cell_length_c [9.8796] _cell_ang...

0.012

0.468

0.0122

0.2831

MP

K3VSO3

data_[K6V2S2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.7066] _cell_length_b [5.9938] _...

3.138

0.0

0.5589

0.0

MP

H3CO3

data_[H12C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1012] _cell_length_b [3.5917] _cell_length_c [11.8907] _cel...

3.373

0.066

0.5763

0.0675

MP

Fe3P8H26NO36

data_[Fe12P32H104N4O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_...

1.393

0.24

0.3785

0.1781

MP

SiO2

data_[Si36O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.8484] _cell_length_b [8.7170] _cell_length_c [19.1509] _cell_angle_alpha [90.0000] _cell...

5.872

0.037

0.7136

0.0429

MP

MnP2O7

data_[Mn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.2660] _cell_length_b [9.6641] _cell_length_c [10.6313] _cell_...

0.562

0.073

0.2213

0.0729

MP

SrTi7N10

data_[Sr2Ti14N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.3780] _cell_length_b [7.3924] _cell_length_c [10.9593] _cel...

1.631

0.137

0.4111

0.1179

MP

LiCuSi2O5

data_[Li2Cu2Si4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.7366] _cell_length_b [4.93...

2.092

0.099

0.4651

0.0922

MP

In3Te3Br

data_[In12Te12Br4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.9120] _cell_length_b [4.4232] _cell_length_c [21.0494]...

1.304

0.0

0.3653

0.0

MP

Rb3Ta2S11

data_[Rb12Ta8S44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.0137] _cell_length_b [8.1499] _cell_length_c [19.6765]...

1.693

0.0

0.419

0.0

MP

CaSiSnO5

data_[Ca4Si4Sn4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.7953] _cell_length_b [8.99...

3.231

0.008

0.5659

0.0128

MP

Li12Mn2O9

data_[Li12Mn2O9] 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 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6744] _cell_length_b [5.7643] _cell_length_c [8.1624] _cell_...

0.943

0.07

0.3043

0.0706

MP

OsO2F3

data_[Os4O8F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.6933] _cell_length_b [5.2378] _cell_length_c [12.6546] _cell_a...

0.574

0.021

0.2243

0.0275

MP

Cs2HgBr4

data_[Cs8Hg4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hg 2.0000 1.5000 1.2450 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1591] _cell_length_b [10.5024] _cell_length_c [16.5772...

2.491

0.003

0.5047

0.0058

MP

In2O3

data_[In12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [5.5856] _cell_length_b [5.5856] _cell_length_c [14.7482] _cell_angle_alpha [90.0000] _cell_...

0.959

0.021

0.3073

0.0275

MP

AlInN2

data_[Al4In4N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [5.7631] _cell_length_b [6.7004] _cell_length_c [5.4111] _ce...

1.519

0.017

0.3962

0.0232

MP

Mn2Be3(SiO4)3

data_[Mn8Be12Si12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0168] _cell_length_b [...

0.224

0.156

0.1175

0.1299

MP

NaMn(PO3)3

data_[Na4Mn4P12O36] 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 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.7927] _cell_length_b ...

4.543

0.008

0.6492

0.0128

MP

MnF4

data_[Mn2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [4.8076] _cell_length_b [9.3087] _cell_length_c [2.9614] _cell_angle_alpha [90.0000] _cell_ang...

0.928

0.094

0.3015

0.0886

MP

K3FeF3

data_[K6Fe2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.9421] _cell_length_b [6.1746] _cell_length_c [10.0830] _cell_an...

0.801

0.558

0.2762

0.3177

MP

CdIn2O4

data_[Cd8In16O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [9.3307] _cell_length_b [9.3307] _cell_length_c [9.3307] _c...

0.914

0.0

0.2988

0.0

MP

Li3V4FeO12

data_[Li3V4Fe1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0425] _cell_length_b [5.3541] ...

1.363

0.074

0.3742

0.0737

MP

Li2FeSiO4

data_[Li8Fe4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.3249] _cell_length_b [5....

3.348

0.001

0.5745

0.0024

MP

Cs3CoBr5

data_[Cs12Co4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [9.9273] _cell_length_b [9.9273] _cell_length_c [15.2955...

0.698

0.0

0.2538

0.0

MP

Li6V5O12

data_[Li12V10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1855] _cell_length_b [8.8055] _cell_length_c [9.9260] _cell_...

0.725

0.049

0.2599

0.0535

MP

Li8CoO5F

data_[Li16Co2O10F2] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5593] _cell_length_b [5.5744]...

1.709

0.029

0.421

0.0354

MP

Pr(HoS2)3

data_[Pr2Ho6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ho 1.2300 1.7500 1.0410 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.0853] _cell_length_b [3.9865] _cell_length_c [11.3131] ...

1.021

0.0

0.3187

0.0

MP

Ta2VRe

data_[Ta4V2Re2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Re 1.9000 1.3500 0.7125 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.2439] _cell_length_b [10.8762] _cell_length_c [15.5276] _ce...

0.183

4.989

0.1014

0.9701

MP

As3P3Pb10(ClO12)2

data_[As3P3Pb10Cl2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6] _cell_length_a...

3.123

0.004

0.5578

0.0073

MP

Cs2KLaCl6

data_[Cs8K4La4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6235] _cell_length_b [11...

4.842

0.018

0.6651

0.0243

MP

Li3CoO2F

data_[Li12Co4O8F4] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [8.5417] _cell_length_b [9.7343...

1.367

0.061

0.3747

0.0635

MP

Na3Mn2P2(CO7)2

data_[Na6Mn4P4C4O28] 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 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

0.113

0.009

0.0707

0.014

MP

Mn3V6(FeO6)4

data_[Mn3V6Fe4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7885] _cell_length_b [8.3098]...

1.456

0.005

0.3875

0.0088

MP

Ge2N2O

data_[Ge8N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4688] _cell_length_b [5.6192] _cell_length_c [10.4761] _cell_an...

1.735

0.107

0.4242

0.0978

MP

Pr8Br13N3O

data_[Pr32Br52N12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [22.2924] _cell_length_b [8.538...

3.133

0.0

0.5586

0.0

MP

Na2AlFeF7

data_[Na32Al16Fe16F112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.5785] _cell_length_b ...

3.364

0.011

0.5756

0.0164

MP

CrBiO3

data_[Cr8Bi8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.6343] _cell_length_b [5.5832] _cell_length_c [9.7636] _cel...

1.294

0.023

0.3638

0.0295

MP

Li3AlMo2(AsO7)2

data_[Li3Al1Mo2As2O14] 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 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...

2.89

0.016

0.5394

0.0221

MP

LiP4(RuO7)2

data_[Li1P4Ru2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8606] _cell_length_b [7.0111]...

0.031

0.014

0.0259

0.0199

MP

Cu2(ReSe2)3

data_[Cu16Re24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Re 1.9000 1.3500 0.7125 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.7608] _cell_length_b [9.9710] _cell_length_c [12.2142...

0.198

0.07

0.1074

0.0706

MP

LiSiBiO4

data_[Li12Si12Bi12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.5501] _cell_length_b ...

3.035

0.069

0.551

0.0698

MP

LiSn2(PO4)3

data_[Li2Sn4P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.5502] _cell_length_b [8.5640]...

3.485

0.0

0.5841

0.0

MP

K2NbO3F

data_[K4Nb2O6F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [4.0139] _cell_length_b [4.0139] _...

1.258

0.003

0.3582

0.0058

MP

Tb2EuS4

data_[Tb8Eu4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 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 [8.4744] _cell_length_b [8.4744] _cell_length_c [8.4261] _ce...

0.455

0.019

0.1926

0.0254

MP

Rb2MoAs2O9

data_[Rb4Mo2As4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.6661] _cell_length_b [7.793...

2.761

0.0

0.5286

0.0

MP

Ba2HoTaO6

data_[Ba8Ho4Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5193] _cell_length_b [8.5...

3.378

0.001

0.5766

0.0024

MP

NaMn3O6

data_[Na16Mn48O96] 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 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.4128] _cell_length_b [8.5781] _cell_length_c [26.2409] _...

0.703

0.056

0.255

0.0594

MP

CsSiSbO5

data_[Cs16Si16Sb16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [19.9493] _cell_length_b [...

2.192

0.0

0.4756

0.0

MP

LiMg14MnO16

data_[Li1Mg14Mn1O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.4836] _cell_length_b [8...

0.446

0.022

0.1901

0.0285

MP

MgSnP2

data_[Mg4Sn4P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.9222] _cell_length_b [5.9222] _cell_length_c [11.6499] _ce...

1.214

0.01

0.3513

0.0152

MP

Ce2Ta2O9

data_[Ce4Ta4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.5385] _cell_length_b [3.8641] _cell_length_c [15.6370] _...

1.532

0.059

0.398

0.0618

MP

FeSi7N10

data_[Fe2Si14N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.6940] _cell_length_b [6.8990] _cell_length_c [9.7161] _cell...

0.857

0.184

0.2876

0.1468

MP

Ca4GeN4

data_[Ca16Ge4N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.3056] _cell_length_b [6.0721] _cell_length_c [11.2154] ...

1.409

0.0

0.3808

0.0

MP

Li2CrPCO7

data_[Li4Cr2P2C2O14] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

3.029

0.013

0.5505

0.0188

MP

Li6Cu9(PO4)8

data_[Li6Cu9P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.7281] _cell_length_b [8.9196]...

0.39

0.025

0.1736

0.0315

MP

Ho2P4O13

data_[Ho8P16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.0525] _cell_length_b [17.5704] _cell_length_c [8.6055] _c...

5.632

0.003

0.7031

0.0058

MP

RbSr2Cl5

data_[Rb4Sr8Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sr 0.9500 2.0000 1.3200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.0950] _cell_length_b [8.0391] _cell_length_c [13.0330]...

5.204

0.0

0.6832

0.0

MP

Na8Hf(MoO4)6

data_[Na16Hf2Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9120] _cell_length_b [...

4.07

0.008

0.622

0.0128

MP

Li3FeAsCO7

data_[Li6Fe2As2C2O14] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

2.716

0.048

0.5248

0.0526

MP

BeCr2O4

data_[Be4Cr8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9843] _cell_length_b [5.7801] _cell_length_c [4.6141] _cel...

2.837

0.0

0.535

0.0

MP

Ni(TeO3)4

data_[Ni1Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1377] _cell_length_b [5.5765] _cell_length_c [7.6366] _cell_...

0.268

0.087

0.1336

0.0835

MP

Li4TiFe3O8

data_[Li4Ti1Fe3O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0908] _cell_length_b [5.6612]...

1.49

0.042

0.3923

0.0474

MP

Na6TeMo6(H22O23)2

data_[Na6Te1Mo6H44O46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a...

3.324

0.024

0.5727

0.0305

MP

Eu2HoTaO6

data_[Eu8Ho4Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.3878] _cell_length_b [8.3...

0.636

0.093

0.2395

0.0879

MP

PrF3

data_[Pr6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [7.1465] _cell_length_b [7.1465] _cell_length_c [7.3345] _cell_angle_alpha [90.0000] _cell_a...

7.597

0.0

0.7792

0.0

MP

Y2AgSb3

data_[Y2Ag1Sb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [9.0965] _cell_length_b [9.0965] _cell_length_c [40.0219] _c...

0.161

3.081

0.0922

0.7999

MP

Rb2Mo3O10

data_[Rb8Mo12O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.5859] _cell_length_b [8.3757] _cell_length_c [9.3684] _c...

3.398

0.0

0.578

0.0

MP

SrB4O7

data_[Sr9B36O63] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [17.3023] _cell_length_b [17.3023] _cell_length_c [4.2958] _cell...

5.177

0.009

0.6819

0.014

MP

Na4Zn3Se5

data_[Na16Zn12Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.7818] _cell_length_b [4.1343] _cell_length_c [19.6858...

1.128

0.001

0.3372

0.0024

MP

Hg3SbAsS3

data_[Hg12Sb4As4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.9774] _cell_length_b [...

1.659

0.005

0.4147

0.0088

MP

Ba2H6Pt

data_[Ba8H24Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.5327] _cell_length_b [6.0303] _cell_length_c [6.0292] _ce...

1.759

0.0

0.4272

0.0

MP

Nb2Ge2O7

data_[Nb8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.9400] _cell_length_b [26.7538] _cell_length_c [5.8704] _...

1.541

0.119

0.3992

0.106

MP

KTe

data_[K6Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [9.6785] _cell_length_b [9.6785] _cell_length_c [6.5046] _cell_angle_alpha [90.0000] _cell_an...

0.213

0.004

0.1133

0.0073

MP

Li3Mn(PO4)2

data_[Li6Mn2P4O16] 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 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.7953] _cell_length_b [5.90...

0.26

0.028

0.1308

0.0345

MP

Cs2CdBi2S5

data_[Cs8Cd4Bi8S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [16.0927] _cell_length_b [4.2...

1.731

0.0

0.4237

0.0

MP

Na2Si2O5

data_[Na16Si16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.9059] _cell_length_b [24.2630] _cell_length_c [8.2217]...

4.45

0.004

0.6441

0.0073

MP

La2MnCrO6

data_[La4Mn2Cr2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6309] _cell_length_b [5.721...

0.973

0.082

0.3099

0.0798

MP

CaH12(BrO3)2

data_[Ca1H12Br2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [8.1493] _cell_length_b [8.1493...

4.137

0.009

0.626

0.014

MP

Ba3V2O8

data_[Ba9V6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.9002] _cell_length_b [5.9002] _cell_length_c [21.5929] _cell...

3.747

0.0

0.6018

0.0

MP

Si10BiTe2H73C25

data_[Si40Bi4Te8H292C100] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_le...

1.94

0.057

0.4484

0.0602

MP

RbHfF5

data_[Rb8Hf8F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hf 1.3000 1.5500 0.8500 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [13.5592] _cell_length_b [8.0025] _cell_length_c [7.9958] _ce...

6.8

0.0

0.7509

0.0

MP

RbSeO4

data_[Rb6Se6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [20.5375] _cell_length_b [7.7266] _cell_length_c [4.5456] _cell...

0.506

0.133

0.2067

0.1153

MP

Ca10V6O25

data_[Ca10V6O25] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.0600] _cell_length_b [10.0600] _cell_length_c [6.9598] _cell...

2.349

0.006

0.4913

0.0101

MP

AsC4S2Cl2O2F13

data_[As4C16S8Cl8O8F52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_n...

3.092

0.264

0.5554

0.1907

MP

KGaH4

data_[K4Ga4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1684] _cell_length_b [5.6439] _cell_length_c [7.3428] _cell_...

4.937

0.0

0.67

0.0

MP

CuAgAs2H3O8

data_[Cu4Ag4As8H12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

0.496

0.008

0.204

0.0128

MP

LiCo2OF5

data_[Li8Co16O8F40] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.4783] _cell_length_b [6.4721]...

0.882

0.094

0.2926

0.0886

MP

Dy9Al5Se21

data_[Dy54Al30Se126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [17.6829] _cell_length_b [17.6829] _cell_length_c [18.7990...

1.543

0.016

0.3995

0.0221

MP

SrCO3

data_[Sr4C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.1369] _cell_length_b [5.1632] _cell_length_c [8.5113] _cell_...

4.442

0.0

0.6436

0.0

MP

Ca2V3O8

data_[Ca4V6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.2708] _cell_length_b [6.2455] _cell_length_c [4.9704] _cell...

1.496

0.0

0.3931

0.0

MP

CdCo(PO3)4

data_[Cd4Co4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.2170] _cell_length_b [8.67...

2.55

0.0

0.5101

0.0

MP

Bi13Pb3Cl7O19

data_[Bi26Pb6Cl14O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [30.2115] _cell_length_b [4.0...

0.567

0.065

0.2225

0.0667

MP

Cu4P2O9

data_[Cu16P8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.1551] _cell_length_b [6.3810] _cell_length_c [13.6342] _cel...

0.068

0.003

0.0479

0.0058

MP

LiFe2(PO4)3

data_[Li4Fe8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.7249] _cell_length_b [12.8...

0.069

0.122

0.0484

0.108

MP

Mo(NO4)2

data_[Mo4N8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.6699] _cell_length_b [5.4034] _cell_length_c [15.3594] _ce...

2.821

0.0

0.5337

0.0

MP

YO2

data_[Y4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.4498] _cell_length_b [6.6133] _cell_length_c [6.1102] _cell_angle_alpha [90.0000] _cell_angle...

0.334

0.281

0.156

0.1993

MP

Mn4Nb2O9

data_[Mn8Nb4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [5.3878] _cell_length_b [5.3878] _cell_length_c [14.5319] _c...

0.015

0.0

0.0146

0.0

MP

LiMn3(BO3)3

data_[Li2Mn6B6O18] 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 0.6483 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2307] _cell_length_b [6.1939] ...

0.46

0.094

0.194

0.0886

MP

Li2Fe3SnO8

data_[Li4Fe6Sn2O16] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8927] _cell_length_b [6.068...

0.11

0.065

0.0692

0.0667

MP

KTh2F9

data_[K4Th8F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Th 1.3000 1.8000 1.0800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.9408] _cell_length_b [11.8309] _cell_length_c [7.2577] _cell...

6.442

0.0

0.7371

0.0