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	Li3P3(WO6)2	data_[Li18P18W12O72] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [8.6937] _cell_length_b [8.6937...	3.764	0.036	0.6029	0.042
MP	K2CeAl(SiO3)4	data_[K16Ce8Al8Si32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...	0.171	0.0	0.0964	0.0
MP	NpN4O11	data_[Np6N24O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Np 1.3600 1.7500 1.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.2906] _cell_length_b [9.2906] _cell_length_c [19.4968] _cel...	0.495	0.278	0.2037	0.1978
MP	Na3P(SO)2	data_[Na24P8S16O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.8990] _cell_length_b [17.741...	3.279	0.0	0.5695	0.0
MP	U(PO3)4	data_[U16P64O192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 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 [13.9980] _cell_length_b [30.2436] _cell_length_c [9.1173] _ce...	0.014	0.0	0.0138	0.0
MP	Rb3P3(HO3)4	data_[Rb6P6H8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 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 [8.7088] _cell_length_b [9.7217] _...	1.085	0.015	0.3299	0.021
MP	NaCN	data_[Na2C2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.6543] _cell_length_b [5.5694] _cell_length_c [4.8918] _cell_a...	5.037	0.2	0.675	0.156
MP	KGdTiO4	data_[K4Gd4Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [13.1714] _cell_length_b [5.525...	2.148	0.007	0.471	0.0115
MP	K3Nb3Si2O13	data_[K6Nb6Si4O26] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [9.2578] _cell_length_b [9.257...	2.223	0.007	0.4788	0.0115
MP	ScZnAu2	data_[Sc2Zn2Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.5821] _cell_length_b [11.4095] _cell_length_c [16.1274] ...	0.231	1.685	0.1201	0.6029
MP	Cd2Bi6O11	data_[Cd4Bi12O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.5620] _cell_length_b [7.6630] _cell_length_c [12.2385] _cel...	1.841	0.121	0.437	0.1073
MP	Na2CoP2O7	data_[Na8Co4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [P1] _cell_length_a [6.5463] _cell_length_b [9.5528] ...	3.006	0.03	0.5487	0.0364
MP	Rb2FeH2Cl5O	data_[Rb8Fe4H8Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a...	2.25	0.202	0.4815	0.1572
MP	Li4Ti3Mn3(NiO8)2	data_[Li8Ti6Mn6Ni4O32] 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 Mn 1.5500 1.4000 0.6483 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	1.176	0.059	0.3452	0.0618
MP	CsVOF4	data_[Cs4V4O4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [Pnma] _cell_length_a [5.6537] _cell_length_b [6.4747] ...	3.546	0.0	0.5883	0.0
MP	Ba2NaNb5O15	data_[Ba4Na2Nb10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [12.6454] _cell_length_b [12...	2.508	0.015	0.5063	0.021
MP	SrNdMgRuO6	data_[Sr2Nd2Mg2Ru2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nd 1.1400 1.8500 1.2765 Mg 1.3100 1.5000 0.8600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...	0.362	0.0	0.165	0.0
MP	MnH2SeO5	data_[Mn4H8Se4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.1356] _cell_length_b [8.4481...	1.903	0.0	0.4442	0.0
MP	Cs2CuH8(SeO6)2	data_[Cs4Cu2H16Se4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	2.943	0.006	0.5437	0.0101
MP	H2Os3C8(SO4)2	data_[H8Os12C32S8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Os 2.2000 1.3000 0.6730 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [...	2.667	0.158	0.5206	0.1311
MP	MnFe(PO4)2	data_[Mn2Fe2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [Pmc2_1] _cell_length_a [5.9741] _cell_length_b [4.88...	1.001	0.019	0.3151	0.0254
MP	LaPbNO5	data_[La2Pb2N2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [14.5453] _cell_length_b [4.7021]...	2.342	0.021	0.4906	0.0275
MP	Zn2Hg2H2S2O11	data_[Zn8Hg8H8S8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Hg 2.0000 1.5000 1.2450 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [...	2.222	0.0	0.4787	0.0
MP	CaGd4O7	data_[Ca4Gd16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Gd 1.2000 1.8000 1.0750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2158] _cell_length_b [9.2081] _cell_length_c [11.6372] _ce...	2.882	0.043	0.5387	0.0483
MP	BiPbClO2	data_[Bi4Pb4Cl4O8] 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 [Cmcm] _cell_length_a [5.7156] _cell_length_b [12.68...	2.074	0.0	0.4632	0.0
MP	K3V3(BiO6)2	data_[K12V12Bi8O48] 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 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 [14.1539] _cell_length_b [14.11...	2.943	0.0	0.5437	0.0
MP	SrH2(CO2)2	data_[Sr4H8C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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_12_12_1] _cell_length_a [7.0013] _cell_length_b [7....	4.679	0.133	0.6566	0.1153
MP	Gd3Ga5O12	data_[Gd24Ga40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.5516] _cell_length_b [12.5516] _cell_length_c [12.5516...	2.904	0.0	0.5405	0.0
MP	CaMn25FeSi4SbO44	data_[Ca2Mn50Fe2Si8Sb2O88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_g...	0.018	0.052	0.0168	0.056
MP	Sn2P2O7	data_[Sn24P24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Cc] _cell_length_a [21.7514] _cell_length_b [9.7943] _cell_length_c [9.6568] _cell...	2.551	0.079	0.5102	0.0775
MP	Sb2ClO2F11	data_[Sb8Cl4O8F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7763] _cell_length_b [10.5...	1.832	0.0	0.4359	0.0
MP	Tb4CdPd	data_[Tb64Cd16Pd16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [13.8132] _cell_length_b [13.8132] _cell_length_c [13.81...	0.028	0.0	0.0239	0.0
MP	MgAl2SiO7	data_[Mg2Al4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5316] _cell_length_b [5.579...	0.028	0.214	0.0239	0.1639
MP	Sr4Al6MoO16	data_[Sr64Al96Mo16O256] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [19.1088] _cell_lengt...	3.562	0.0	0.5894	0.0
MP	Li4Mn3P3O12F	data_[Li8Mn6P6O24F2] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-43n] _cell_length_a ...	3.576	0.074	0.5904	0.0737
MP	Co2Hg2H2S2O11	data_[Co8Hg8H8S8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Hg 2.0000 1.5000 1.2450 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [...	1.651	0.161	0.4137	0.133
MP	K2RbGaBr6	data_[K8Rb4Ga4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Ga 1.8100 1.3000 0.7600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5666] _cell_length_b [11...	2.325	0.155	0.4889	0.1293
MP	CsNa2Sb	data_[Cs2Na4Sb2] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [14.0692] _cell_length_b [14.6572] _cell_length_c [20.5933] ...	0.0	1.051	0.0	0.4673
MP	Ba2V(SiO4)2	data_[Ba4V2Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [8.6050] _cell_length_b [8.6050...	2.634	0.0	0.5177	0.0
MP	Li5NbO5	data_[Li20Nb4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.7530] _cell_length_b [9.3946] _cell_length_c [9.0920] _ce...	3.924	0.017	0.613	0.0232
MP	Rb2(PSe2)3	data_[Rb16P24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [16.9975] _cell_length_b [10.8567] _cell_length_c [15.606...	1.597	0.0	0.4067	0.0
MP	La2Te4O11	data_[La8Te16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.9418] _cell_length_b [5.3618] _cell_length_c [16.7770] _...	3.35	0.0	0.5746	0.0
MP	Ga2SnGeS6	data_[Ga32Sn16Ge16S96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [7.2590] _cell_length_b [4...	0.968	0.042	0.309	0.0474
MP	Ba3Nb2CoO9	data_[Ba6Nb4Co2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2154] _cell_length_b [5.8...	1.688	0.002	0.4184	0.0042
MP	Sr(GaS2)2	data_[Sr4Ga8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cccm] _cell_length_a [6.0558] _cell_length_b [10.5426] _cell_length_c [10.6791] _c...	2.688	0.013	0.5224	0.0188
MP	Sr2YNbO6	data_[Sr4Y2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8584] _cell_length_b [5.96...	3.225	0.0	0.5655	0.0
MP	Li10V(SiO5)2	data_[Li40V4Si8O40] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [30.0065] _cell_length_b [6.13...	0.854	0.091	0.287	0.0864
MP	ScNb(PbO3)2	data_[Sc4Nb4Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2285] _cell_length_b [8.2...	2.575	0.044	0.5124	0.0492
MP	PrBO3	data_[Pr4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8375] _cell_length_b [5.0955] _cell_length_c [8.2293] _cell_...	4.653	0.0	0.6552	0.0
MP	GdZr3F15	data_[Gd4Zr12F60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Zr 1.3300 1.5500 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.2588] _cell_length_b [8.2657] _cell_length_c [16.5234] _ce...	4.458	0.0	0.6445	0.0
MP	UP3H7O8	data_[U4P12H28O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.2526] _cell_length_b [7....	2.253	0.093	0.4818	0.0879
MP	BaVP2(H2O5)2	data_[Ba4V4P8H16O40] 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 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...	2.549	0.002	0.51	0.0042
MP	SrP3	data_[Sr4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.2399] _cell_length_b [7.3526] _cell_length_c [5.7441] _cell_angle_alpha [90.0000] _cell_an...	0.0	0.005	0.0	0.0088
MP	CoH22N7(ClO2)4	data_[Co2H44N14Cl8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...	1.128	0.605	0.3372	0.3346
MP	H5IO6	data_[H20I4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.9432] _cell_length_b [18.3221] _cell_length_c [5.4638] _cell_...	1.618	0.047	0.4094	0.0518
MP	As2Kr3F16	data_[As8Kr12F64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Kr 3.0000 2.02 0.0000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.4338] _cell_length_b [25.4904] _cell_length_c [9.1301] _c...	1.172	0.003	0.3445	0.0058
MP	Li4(NiO2)7	data_[Li4Ni7O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9200] _cell_length_b [6.4320] _cell_length_c [7.6546] _cell...	0.383	0.031	0.1715	0.0374
MP	Ru3C10(NO6)2	data_[Ru12C40N8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 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 [7.7055] _cell_length_b [26.5...	1.097	0.288	0.332	0.2029
MP	Li2Fe2Si8O19	data_[Li4Fe4Si16O38] 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 [C2] _cell_length_a [13.5427] _cell_length_b [4.96...	3.213	0.067	0.5646	0.0682
MP	Tl2PtI6	data_[Tl4Pt2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P4/mnc] _cell_length_a [7.8082] _cell_length_b [7.8082] _cell_length_c [11.6077] _...	0.583	0.0	0.2266	0.0
MP	Ca3MnO4	data_[Ca6Mn2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1096] _cell_length_b [3.3602] _cell_length_c [5.8284] _cel...	2.908	0.031	0.5409	0.0374
MP	Li5La3Nb2O12	data_[Li40La24Nb16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [18.0838] _cell_length_b [12...	3.476	0.055	0.5835	0.0585
MP	Na6ZnO4	data_[Na12Zn2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [7.6635] _cell_length_b [7.6635] _cell_length_c [5.9162] _c...	1.534	0.0	0.3983	0.0
MP	Rb2SiF6	data_[Rb8Si4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Si 1.9000 1.1000 0.5400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.6117] _cell_length_b [8.6117] _cell_length_c [8.6117] _ce...	6.995	0.0	0.7581	0.0
MP	NdBr3	data_[Nd4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1257] _cell_length_b [14.3796] _cell_length_c [9.2803] _cell_angle_alpha [90.0000] _cell...	2.922	0.0	0.542	0.0
MP	K2CoH12(SeO7)2	data_[K4Co2H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	0.376	0.223	0.1693	0.1689
MP	Li3Fe3TeO8	data_[Li6Fe6Te2O16] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.5229] _cell_length_b [6.1...	1.275	0.063	0.3609	0.0651
MP	LiBH4	data_[Li4B4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.2004] _cell_length_b [4.4106] _cell_length_c [6.7379] _cell_...	6.812	0.0	0.7513	0.0
MP	Zn3In2O6	data_[Zn12In8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8961] _cell_length_b [6.8151] _cell_length_c [14.4480] _cel...	1.257	0.037	0.3581	0.0429
MP	Na2SiF6	data_[Na6Si3F18] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.0200] _cell_length_b [9.0200] _cell_length_c [5.1148] _cel...	6.995	0.0	0.7581	0.0
MP	Al3Si3(PbO8)2	data_[Al12Si12Pb8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccc2] _cell_length_a [12.8568] _cell_length_b [1...	0.265	0.271	0.1326	0.1943
MP	Li3Mn(PO4)2	data_[Li12Mn4P8O32] 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 [P1] _cell_length_a [8.5530] _cell_length_b [8.6615]...	1.262	0.076	0.3589	0.0752
MP	Na3CoBAsO7	data_[Na6Co2B2As2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	0.491	0.078	0.2026	0.0768
MP	MoH12N3O5F3	data_[Mo4H48N12O20F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_len...	2.813	0.319	0.533	0.218
MP	TaCr3(AgS4)2	data_[Ta2Cr6Ag4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [6.9280] _cell_length_b [6.02...	0.275	0.039	0.1361	0.0447
MP	U3(HO5)2	data_[U3H2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5702] _cell_length_b [5.8986] _cell_length_c [7.3870] _cell_angl...	1.885	0.072	0.4421	0.0722
MP	Ho(PO3)3	data_[Ho12P36O108] 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 [P2_1/c] _cell_length_a [11.4148] _cell_length_b [20.2304] _cell_length_c [10.1930...	5.616	0.0	0.7023	0.0
MP	OsO3F2	data_[Os4O12F8] 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 [P2_1/c] _cell_length_a [5.6761] _cell_length_b [5.1611] _cell_length_c [12.6379] _ce...	2.314	0.0	0.4879	0.0
MP	Te4Mo2WSe2	data_[Te4Mo2W1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.4753] _cell_length_b [3.47...	0.399	0.059	0.1763	0.0618
MP	Cs3B12H12Cl	data_[Cs9B36H36Cl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [10.5170] _cell_length_b [10.5...	4.958	0.079	0.671	0.0775
MP	Na2Ca4ZrNbSi4(O8F)2	data_[Na4Ca8Zr2Nb2Si8O32F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.500...	0.67	0.026	0.2474	0.0325
MP	Pr5(RuO6)2	data_[Pr10Ru4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.9128] _cell_length_b [6.0268] _cell_length_c [7.7438] _c...	0.192	0.0	0.105	0.0
MP	CaSnS3	data_[Ca4Sn4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [9.4199] _cell_length_b [7.1208] _cell_length_c [7.0873] _c...	0.848	0.133	0.2858	0.1153
MP	Li3N	data_[Li3N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [3.6507] _cell_length_b [3.6507] _cell_length_c [3.8886] _cell_angle_alpha [90.0000] _cell_a...	0.984	0.0	0.312	0.0
MP	LiMnF3	data_[Li8Mn8F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/n] _cell_length_a [8.8594] _cell_length_b [8.8594] _cell_length_c [6.2549] _c...	3.265	0.078	0.5684	0.0768
MP	NaLiS	data_[Na2Li2S2] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0404] _cell_length_b [4.0404] _cell_length_c [6.5495] _ce...	2.264	0.0	0.4829	0.0
MP	Li3P11(H3N)17	data_[Li6P22H102N34] 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 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [11.9902] _cell_length_b [12.58...	1.974	0.007	0.4523	0.0115
MP	NiPO4	data_[Ni18P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [14.0566] _cell_length_b [14.0566] _cell_length_c [9.1130] _cel...	1.044	0.159	0.3228	0.1317
MP	Cs2TlFeF6	data_[Cs8Tl4Fe4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3851] _cell_length_b [9.3...	2.906	0.0	0.5407	0.0
MP	K2CoP2WO10	data_[K8Co4P8W4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a...	2.685	0.0	0.5221	0.0
MP	Rb2PdC2	data_[Rb2Pd1C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pd 2.2000 1.4000 0.8462 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.4632] _cell_length_b [5.4632] _cell_length_c [5.3098] _cel...	1.58	0.053	0.4044	0.0569
MP	BiOF	data_[Bi16O16F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [9.1725] _cell_length_b [11.2717] _cell_length_c [7.8707] _ce...	2.41	0.1	0.4971	0.0929
MP	Li3NiO3	data_[Li12Ni4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.8137] _cell_length_b [8.8137] _cell_length_c [3.5977]...	1.728	0.023	0.4234	0.0295
MP	Ba3(YI6)2	data_[Ba12Y8I48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [14.5114] _cell_length_b [13.8449] _cell_length_c [20.5921] ...	2.681	0.075	0.5218	0.0745
MP	ScTlF6	data_[Sc3Tl3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [R-3] _cell_length_a [5.6187] _cell_length_b [5.6187] _cell_length_c [14.7405] _cel...	3.984	0.027	0.6168	0.0335
MP	V6CuO15	data_[V12Cu2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3720] _cell_length_b [7.9643] _cell_length_c [10.3227] _cell...	0.337	0.035	0.157	0.0411
MP	Tl3GeTe3	data_[Tl12Ge4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.8427] _cell_length_b [10.0068] _cell_length_c [10.7306] ...	0.715	0.0	0.2576	0.0
MP	K3HPtS2(ClO3)2	data_[K12H4Pt4S8Cl8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 Pt 2.2800 1.3500 0.8050 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_n...	3.017	0.049	0.5496	0.0535
MP	Mn(BiTe2)2	data_[Mn3Bi6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3614] _cell_length_b [4.3614] _cell_length_c [40.9226] _...	0.488	0.011	0.2018	0.0164
MP	Li4Co7(OF7)2	data_[Li4Co7O2F14] 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 [6.0517] _cell_length_b [6.0906] ...	2.029	0.067	0.4583	0.0682

MP

Li3P3(WO6)2

data_[Li18P18W12O72] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [8.6937] _cell_length_b [8.6937...

3.764

0.036

0.6029

0.042

MP

K2CeAl(SiO3)4

data_[K16Ce8Al8Si32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...

0.171

0.0

0.0964

0.0

MP

NpN4O11

data_[Np6N24O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Np 1.3600 1.7500 1.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.2906] _cell_length_b [9.2906] _cell_length_c [19.4968] _cel...

0.495

0.278

0.2037

0.1978

MP

Na3P(SO)2

data_[Na24P8S16O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.8990] _cell_length_b [17.741...

3.279

0.0

0.5695

0.0

MP

U(PO3)4

data_[U16P64O192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 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 [13.9980] _cell_length_b [30.2436] _cell_length_c [9.1173] _ce...

0.014

0.0

0.0138

0.0

MP

Rb3P3(HO3)4

data_[Rb6P6H8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 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 [8.7088] _cell_length_b [9.7217] _...

1.085

0.015

0.3299

0.021

MP

NaCN

data_[Na2C2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.6543] _cell_length_b [5.5694] _cell_length_c [4.8918] _cell_a...

5.037

0.2

0.675

0.156

MP

KGdTiO4

data_[K4Gd4Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [13.1714] _cell_length_b [5.525...

2.148

0.007

0.471

0.0115

MP

K3Nb3Si2O13

data_[K6Nb6Si4O26] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [9.2578] _cell_length_b [9.257...

2.223

0.007

0.4788

0.0115

MP

ScZnAu2

data_[Sc2Zn2Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.5821] _cell_length_b [11.4095] _cell_length_c [16.1274] ...

0.231

1.685

0.1201

0.6029

MP

Cd2Bi6O11

data_[Cd4Bi12O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.5620] _cell_length_b [7.6630] _cell_length_c [12.2385] _cel...

1.841

0.121

0.437

0.1073

MP

Na2CoP2O7

data_[Na8Co4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [P1] _cell_length_a [6.5463] _cell_length_b [9.5528] ...

3.006

0.03

0.5487

0.0364

MP

Rb2FeH2Cl5O

data_[Rb8Fe4H8Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a...

2.25

0.202

0.4815

0.1572

MP

Li4Ti3Mn3(NiO8)2

data_[Li8Ti6Mn6Ni4O32] 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 Mn 1.5500 1.4000 0.6483 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

1.176

0.059

0.3452

0.0618

MP

CsVOF4

data_[Cs4V4O4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [Pnma] _cell_length_a [5.6537] _cell_length_b [6.4747] ...

3.546

0.0

0.5883

0.0

MP

Ba2NaNb5O15

data_[Ba4Na2Nb10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [12.6454] _cell_length_b [12...

2.508

0.015

0.5063

0.021

MP

SrNdMgRuO6

data_[Sr2Nd2Mg2Ru2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nd 1.1400 1.8500 1.2765 Mg 1.3100 1.5000 0.8600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...

0.362

0.0

0.165

0.0

MP

MnH2SeO5

data_[Mn4H8Se4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.1356] _cell_length_b [8.4481...

1.903

0.0

0.4442

0.0

MP

Cs2CuH8(SeO6)2

data_[Cs4Cu2H16Se4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

2.943

0.006

0.5437

0.0101

MP

H2Os3C8(SO4)2

data_[H8Os12C32S8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Os 2.2000 1.3000 0.6730 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [...

2.667

0.158

0.5206

0.1311

MP

MnFe(PO4)2

data_[Mn2Fe2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [Pmc2_1] _cell_length_a [5.9741] _cell_length_b [4.88...

1.001

0.019

0.3151

0.0254

MP

LaPbNO5

data_[La2Pb2N2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [14.5453] _cell_length_b [4.7021]...

2.342

0.021

0.4906

0.0275

MP

Zn2Hg2H2S2O11

data_[Zn8Hg8H8S8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Hg 2.0000 1.5000 1.2450 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [...

2.222

0.0

0.4787

0.0

MP

CaGd4O7

data_[Ca4Gd16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Gd 1.2000 1.8000 1.0750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2158] _cell_length_b [9.2081] _cell_length_c [11.6372] _ce...

2.882

0.043

0.5387

0.0483

MP

BiPbClO2

data_[Bi4Pb4Cl4O8] 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 [Cmcm] _cell_length_a [5.7156] _cell_length_b [12.68...

2.074

0.0

0.4632

0.0

MP

K3V3(BiO6)2

data_[K12V12Bi8O48] 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 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 [14.1539] _cell_length_b [14.11...

2.943

0.0

0.5437

0.0

MP

SrH2(CO2)2

data_[Sr4H8C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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_12_12_1] _cell_length_a [7.0013] _cell_length_b [7....

4.679

0.133

0.6566

0.1153

MP

Gd3Ga5O12

data_[Gd24Ga40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.5516] _cell_length_b [12.5516] _cell_length_c [12.5516...

2.904

0.0

0.5405

0.0

MP

CaMn25FeSi4SbO44

data_[Ca2Mn50Fe2Si8Sb2O88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_g...

0.018

0.052

0.0168

0.056

MP

Sn2P2O7

data_[Sn24P24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Cc] _cell_length_a [21.7514] _cell_length_b [9.7943] _cell_length_c [9.6568] _cell...

2.551

0.079

0.5102

0.0775

MP

Sb2ClO2F11

data_[Sb8Cl4O8F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7763] _cell_length_b [10.5...

1.832

0.0

0.4359

0.0

MP

Tb4CdPd

data_[Tb64Cd16Pd16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [13.8132] _cell_length_b [13.8132] _cell_length_c [13.81...

0.028

0.0

0.0239

0.0

MP

MgAl2SiO7

data_[Mg2Al4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5316] _cell_length_b [5.579...

0.028

0.214

0.0239

0.1639

MP

Sr4Al6MoO16

data_[Sr64Al96Mo16O256] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [19.1088] _cell_lengt...

3.562

0.0

0.5894

0.0

MP

Li4Mn3P3O12F

data_[Li8Mn6P6O24F2] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-43n] _cell_length_a ...

3.576

0.074

0.5904

0.0737

MP

Co2Hg2H2S2O11

data_[Co8Hg8H8S8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Hg 2.0000 1.5000 1.2450 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [...

1.651

0.161

0.4137

0.133

MP

K2RbGaBr6

data_[K8Rb4Ga4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Ga 1.8100 1.3000 0.7600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5666] _cell_length_b [11...

2.325

0.155

0.4889

0.1293

MP

CsNa2Sb

data_[Cs2Na4Sb2] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [14.0692] _cell_length_b [14.6572] _cell_length_c [20.5933] ...

0.0

1.051

0.0

0.4673

MP

Ba2V(SiO4)2

data_[Ba4V2Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [8.6050] _cell_length_b [8.6050...

2.634

0.0

0.5177

0.0

MP

Li5NbO5

data_[Li20Nb4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.7530] _cell_length_b [9.3946] _cell_length_c [9.0920] _ce...

3.924

0.017

0.613

0.0232

MP

Rb2(PSe2)3

data_[Rb16P24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [16.9975] _cell_length_b [10.8567] _cell_length_c [15.606...

1.597

0.0

0.4067

0.0

MP

La2Te4O11

data_[La8Te16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.9418] _cell_length_b [5.3618] _cell_length_c [16.7770] _...

3.35

0.0

0.5746

0.0

MP

Ga2SnGeS6

data_[Ga32Sn16Ge16S96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [7.2590] _cell_length_b [4...

0.968

0.042

0.309

0.0474

MP

Ba3Nb2CoO9

data_[Ba6Nb4Co2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2154] _cell_length_b [5.8...

1.688

0.002

0.4184

0.0042

MP

Sr(GaS2)2

data_[Sr4Ga8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cccm] _cell_length_a [6.0558] _cell_length_b [10.5426] _cell_length_c [10.6791] _c...

2.688

0.013

0.5224

0.0188

MP

Sr2YNbO6

data_[Sr4Y2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8584] _cell_length_b [5.96...

3.225

0.0

0.5655

0.0

MP

Li10V(SiO5)2

data_[Li40V4Si8O40] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [30.0065] _cell_length_b [6.13...

0.854

0.091

0.287

0.0864

MP

ScNb(PbO3)2

data_[Sc4Nb4Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2285] _cell_length_b [8.2...

2.575

0.044

0.5124

0.0492

MP

PrBO3

data_[Pr4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8375] _cell_length_b [5.0955] _cell_length_c [8.2293] _cell_...

4.653

0.0

0.6552

0.0

MP

GdZr3F15

data_[Gd4Zr12F60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Zr 1.3300 1.5500 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.2588] _cell_length_b [8.2657] _cell_length_c [16.5234] _ce...

4.458

0.0

0.6445

0.0

MP

UP3H7O8

data_[U4P12H28O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.2526] _cell_length_b [7....

2.253

0.093

0.4818

0.0879

MP

BaVP2(H2O5)2

data_[Ba4V4P8H16O40] 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 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...

2.549

0.002

0.51

0.0042

MP

SrP3

data_[Sr4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.2399] _cell_length_b [7.3526] _cell_length_c [5.7441] _cell_angle_alpha [90.0000] _cell_an...

0.0

0.005

0.0

0.0088

MP

CoH22N7(ClO2)4

data_[Co2H44N14Cl8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...

1.128

0.605

0.3372

0.3346

MP

H5IO6

data_[H20I4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.9432] _cell_length_b [18.3221] _cell_length_c [5.4638] _cell_...

1.618

0.047

0.4094

0.0518

MP

As2Kr3F16

data_[As8Kr12F64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Kr 3.0000 2.02 0.0000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.4338] _cell_length_b [25.4904] _cell_length_c [9.1301] _c...

1.172

0.003

0.3445

0.0058

MP

Li4(NiO2)7

data_[Li4Ni7O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9200] _cell_length_b [6.4320] _cell_length_c [7.6546] _cell...

0.383

0.031

0.1715

0.0374

MP

Ru3C10(NO6)2

data_[Ru12C40N8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 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 [7.7055] _cell_length_b [26.5...

1.097

0.288

0.332

0.2029

MP

Li2Fe2Si8O19

data_[Li4Fe4Si16O38] 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 [C2] _cell_length_a [13.5427] _cell_length_b [4.96...

3.213

0.067

0.5646

0.0682

MP

Tl2PtI6

data_[Tl4Pt2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P4/mnc] _cell_length_a [7.8082] _cell_length_b [7.8082] _cell_length_c [11.6077] _...

0.583

0.0

0.2266

0.0

MP

Ca3MnO4

data_[Ca6Mn2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1096] _cell_length_b [3.3602] _cell_length_c [5.8284] _cel...

2.908

0.031

0.5409

0.0374

MP

Li5La3Nb2O12

data_[Li40La24Nb16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [18.0838] _cell_length_b [12...

3.476

0.055

0.5835

0.0585

MP

Na6ZnO4

data_[Na12Zn2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [7.6635] _cell_length_b [7.6635] _cell_length_c [5.9162] _c...

1.534

0.0

0.3983

0.0

MP

Rb2SiF6

data_[Rb8Si4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Si 1.9000 1.1000 0.5400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.6117] _cell_length_b [8.6117] _cell_length_c [8.6117] _ce...

6.995

0.0

0.7581

0.0

MP

NdBr3

data_[Nd4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1257] _cell_length_b [14.3796] _cell_length_c [9.2803] _cell_angle_alpha [90.0000] _cell...

2.922

0.0

0.542

0.0

MP

K2CoH12(SeO7)2

data_[K4Co2H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

0.376

0.223

0.1693

0.1689

MP

Li3Fe3TeO8

data_[Li6Fe6Te2O16] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.5229] _cell_length_b [6.1...

1.275

0.063

0.3609

0.0651

MP

LiBH4

data_[Li4B4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.2004] _cell_length_b [4.4106] _cell_length_c [6.7379] _cell_...

6.812

0.0

0.7513

0.0

MP

Zn3In2O6

data_[Zn12In8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8961] _cell_length_b [6.8151] _cell_length_c [14.4480] _cel...

1.257

0.037

0.3581

0.0429

MP

Na2SiF6

data_[Na6Si3F18] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.0200] _cell_length_b [9.0200] _cell_length_c [5.1148] _cel...

6.995

0.0

0.7581

0.0

MP

Al3Si3(PbO8)2

data_[Al12Si12Pb8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccc2] _cell_length_a [12.8568] _cell_length_b [1...

0.265

0.271

0.1326

0.1943

MP

Li3Mn(PO4)2

data_[Li12Mn4P8O32] 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 [P1] _cell_length_a [8.5530] _cell_length_b [8.6615]...

1.262

0.076

0.3589

0.0752

MP

Na3CoBAsO7

data_[Na6Co2B2As2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

0.491

0.078

0.2026

0.0768

MP

MoH12N3O5F3

data_[Mo4H48N12O20F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_len...

2.813

0.319

0.533

0.218

MP

TaCr3(AgS4)2

data_[Ta2Cr6Ag4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [6.9280] _cell_length_b [6.02...

0.275

0.039

0.1361

0.0447

MP

U3(HO5)2

data_[U3H2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5702] _cell_length_b [5.8986] _cell_length_c [7.3870] _cell_angl...

1.885

0.072

0.4421

0.0722

MP

Ho(PO3)3

data_[Ho12P36O108] 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 [P2_1/c] _cell_length_a [11.4148] _cell_length_b [20.2304] _cell_length_c [10.1930...

5.616

0.0

0.7023

0.0

MP

OsO3F2

data_[Os4O12F8] 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 [P2_1/c] _cell_length_a [5.6761] _cell_length_b [5.1611] _cell_length_c [12.6379] _ce...

2.314

0.0

0.4879

0.0

MP

Te4Mo2WSe2

data_[Te4Mo2W1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.4753] _cell_length_b [3.47...

0.399

0.059

0.1763

0.0618

MP

Cs3B12H12Cl

data_[Cs9B36H36Cl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [10.5170] _cell_length_b [10.5...

4.958

0.079

0.671

0.0775

MP

Na2Ca4ZrNbSi4(O8F)2

data_[Na4Ca8Zr2Nb2Si8O32F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.500...

0.67

0.026

0.2474

0.0325

MP

Pr5(RuO6)2

data_[Pr10Ru4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.9128] _cell_length_b [6.0268] _cell_length_c [7.7438] _c...

0.192

0.0

0.105

0.0

MP

CaSnS3

data_[Ca4Sn4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [9.4199] _cell_length_b [7.1208] _cell_length_c [7.0873] _c...

0.848

0.133

0.2858

0.1153

MP

Li3N

data_[Li3N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [3.6507] _cell_length_b [3.6507] _cell_length_c [3.8886] _cell_angle_alpha [90.0000] _cell_a...

0.984

0.0

0.312

0.0

MP

LiMnF3

data_[Li8Mn8F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/n] _cell_length_a [8.8594] _cell_length_b [8.8594] _cell_length_c [6.2549] _c...

3.265

0.078

0.5684

0.0768

MP

NaLiS

data_[Na2Li2S2] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0404] _cell_length_b [4.0404] _cell_length_c [6.5495] _ce...

2.264

0.0

0.4829

0.0

MP

Li3P11(H3N)17

data_[Li6P22H102N34] 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 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [11.9902] _cell_length_b [12.58...

1.974

0.007

0.4523

0.0115

MP

NiPO4

data_[Ni18P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [14.0566] _cell_length_b [14.0566] _cell_length_c [9.1130] _cel...

1.044

0.159

0.3228

0.1317

MP

Cs2TlFeF6

data_[Cs8Tl4Fe4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3851] _cell_length_b [9.3...

2.906

0.0

0.5407

0.0

MP

K2CoP2WO10

data_[K8Co4P8W4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a...

2.685

0.0

0.5221

0.0

MP

Rb2PdC2

data_[Rb2Pd1C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pd 2.2000 1.4000 0.8462 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.4632] _cell_length_b [5.4632] _cell_length_c [5.3098] _cel...

1.58

0.053

0.4044

0.0569

MP

BiOF

data_[Bi16O16F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [9.1725] _cell_length_b [11.2717] _cell_length_c [7.8707] _ce...

2.41

0.1

0.4971

0.0929

MP

Li3NiO3

data_[Li12Ni4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.8137] _cell_length_b [8.8137] _cell_length_c [3.5977]...

1.728

0.023

0.4234

0.0295

MP

Ba3(YI6)2

data_[Ba12Y8I48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [14.5114] _cell_length_b [13.8449] _cell_length_c [20.5921] ...

2.681

0.075

0.5218

0.0745

MP

ScTlF6

data_[Sc3Tl3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [R-3] _cell_length_a [5.6187] _cell_length_b [5.6187] _cell_length_c [14.7405] _cel...

3.984

0.027

0.6168

0.0335

MP

V6CuO15

data_[V12Cu2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3720] _cell_length_b [7.9643] _cell_length_c [10.3227] _cell...

0.337

0.035

0.157

0.0411

MP

Tl3GeTe3

data_[Tl12Ge4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.8427] _cell_length_b [10.0068] _cell_length_c [10.7306] ...

0.715

0.0

0.2576

0.0

MP

K3HPtS2(ClO3)2

data_[K12H4Pt4S8Cl8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 Pt 2.2800 1.3500 0.8050 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_n...

3.017

0.049

0.5496

0.0535

MP

Mn(BiTe2)2

data_[Mn3Bi6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3614] _cell_length_b [4.3614] _cell_length_c [40.9226] _...

0.488

0.011

0.2018

0.0164

MP

Li4Co7(OF7)2

data_[Li4Co7O2F14] 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 [6.0517] _cell_length_b [6.0906] ...

2.029

0.067

0.4583

0.0682