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	LaHoSi2O7	data_[La4Ho4Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ho 1.2300 1.7500 1.0410 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 [5.4429] _cell_length_b [8....	4.962	0.0	0.6712	0.0
MP	CuPO4	data_[Cu2P2O8] 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 [I-4] _cell_length_a [5.4210] _cell_length_b [5.4210] _cell_length_c [5.2501] _cell_an...	0.126	0.049	0.0767	0.0535
MP	GdI3O11	data_[Gd2I6O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0769] _cell_length_b [7.5781] _cell_length_c [10.7561] _cell_...	0.322	0.286	0.1521	0.2019
MP	H5C2S2N3	data_[H20C8S8N12] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.3143] _cell_length_b [10.7404] ...	2.18	0.065	0.4744	0.0667
MP	B36O5	data_[B72O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4105] _cell_length_b [7.4104] _cell_length_c [11.5930] _cell_angle_alpha [87.3402] _cell_ang...	2.56	0.016	0.511	0.0221
MP	PPdS	data_[P8Pd8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.8799] _cell_length_b [5.7092] _cell_length_c [5.7382] _cell_...	1.014	0.0	0.3174	0.0
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 [Cmc2_1] _cell_length_a [9.4288] _cell_length_b [5.8348] _cell_length_c [5.1766] _cell...	2.617	0.002	0.5161	0.0042
MP	LiAlH8C16(O2F9)4	data_[Li2Al2H16C32O16F72] 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 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group...	5.817	0.189	0.7112	0.1497
MP	KDy(MoO4)2	data_[K4Dy4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Dy 1.2200 1.7500 1.1310 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 [10.7821] _cell_length_b [10.43...	3.21	0.015	0.5644	0.021
MP	K6Co2O5	data_[K12Co4O10] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [6.6602] _cell_length_b [6.6602] _cell_length_c [11.9594] ...	0.697	0.0	0.2536	0.0
MP	Li2Co2SiO6	data_[Li8Co8Si4O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [8.5487] _cell_length_b [5.07...	0.726	0.143	0.2601	0.1217
MP	SiTc2Ge	data_[Si2Tc4Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Tc 1.9000 1.3500 0.7417 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.3890] _cell_length_b [10.3528] _cell_length_c [14.6388] _...	0.117	3.036	0.0725	0.7948
MP	Na10SrSn12	data_[Na20Sr2Sn24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [11.3562] _cell_length_b [11.3562] _cell_length_c [11.356...	0.67	0.0	0.2474	0.0
MP	BiTeRh	data_[Bi4Te4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [6.6042] _cell_length_b [6.6042] _cell_length_c [6.6042] _c...	0.162	0.0	0.0926	0.0
MP	Li3Mn3(BO3)4	data_[Li6Mn6B8O24] 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 [Pc] _cell_length_a [5.3465] _cell_length_b [9.0777] ...	0.784	0.095	0.2726	0.0893
MP	LaTiNO2	data_[La4Ti4N4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5931] _cell_length_b [5.5937] _...	0.556	0.07	0.2197	0.0706
MP	Rb3Ce(PSe4)2	data_[Rb12Ce4P8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ce 1.1200 1.8500 1.0800 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6882] _cell_length_b [1...	0.214	0.0	0.1137	0.0
MP	NaNdC4O11	data_[Na4Nd4C16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [12.8592] _cell_length_b [7.52...	0.882	0.601	0.2926	0.3332
MP	RbPbCl3	data_[Rb1Pb1Cl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.7231] _cell_length_b [5.7231] _cell_length_c [5.7231] _c...	2.196	0.038	0.476	0.0438
MP	KCrNiOF6	data_[K4Cr4Ni4O4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [...	0.473	0.237	0.1977	0.1765
MP	U(PO3)4	data_[U2P8O24] 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 [P-1] _cell_length_a [8.3319] _cell_length_b [8.3350] _cell_length_c [8.5881] _cell_ang...	0.234	0.014	0.1213	0.0199
MP	RbHo(PO3)4	data_[Rb4Ho4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [10.3866] _cell_length_b [8....	5.505	0.004	0.6973	0.0073
MP	Ni6OF11	data_[Ni12O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.1107] _cell_length_b [6.6207] _cell_length_c [7.3586] _cell_a...	0.885	0.036	0.2932	0.042
MP	LiNb(PO3)4	data_[Li2Nb2P8O24] 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 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 [7.4212] _cell_length_b [7.4542]...	0.164	0.075	0.0935	0.0745
MP	Sr6Mg7H26	data_[Sr12Mg14H52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.2598] _cell_length_b [5.6361] _cell_length_c [11.5686] ...	2.989	0.004	0.5474	0.0073
MP	MnTe4(H3N)6	data_[Mn4Te16H72N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.0755] _cell_length_b [18...	0.142	0.06	0.0839	0.0626
MP	NaCa3ScZn3(SiO3)8	data_[Na2Ca6Sc2Zn6Si16O48] 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 Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_g...	4.38	0.029	0.6401	0.0354
MP	NpUP4H4(CO8)2	data_[Np2U2P8H8C4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Np 1.3600 1.7500 1.0000 U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 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...	0.039	0.464	0.031	0.2815
MP	Fe2OF3	data_[Fe8O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [5.7772] _cell_length_b [4.7431] _cell_length_c [10.7658] _ce...	1.574	0.086	0.4036	0.0827
MP	Ag3SI	data_[Ag3S1I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.0203] _cell_length_b [4.8761] _cell_length_c [5.0599] _cell_ang...	0.262	0.077	0.1315	0.076
MP	Ta2Pd3Se8	data_[Ta4Pd6Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [11.1999] _cell_length_b [15.6481] _cell_length_c [3.6110] ...	0.526	0.0	0.212	0.0
MP	LiLa2RuO6	data_[Li2La4Ru2O12] 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 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.5667] _cell_length_b [5....	0.294	0.0	0.1427	0.0
MP	V2GaO5	data_[V12Ga6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1284] _cell_length_b [9.1451] _cell_length_c [9.9570] _cell_...	0.46	0.014	0.194	0.0199
MP	Li2Mn3F8	data_[Li8Mn12F32] 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 [P2_1/c] _cell_length_a [6.0947] _cell_length_b [10.3690] _cell_length_c [10.9405]...	3.476	0.032	0.5835	0.0383
MP	Fe2O3	data_[Fe16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.1648] _cell_length_b [5.4072] _cell_length_c [15.0509] _cell_angle_alpha [90.0000] _cell_...	1.566	0.113	0.4026	0.1019
MP	Li3V3O3F5	data_[Li6V6O6F10] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.5849] _cell_length_b [6.0230] _...	0.861	0.085	0.2884	0.082
MP	LiMnP2O7	data_[Li8Mn8P16O56] 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 [9.7382] _cell_length_b [9.7499]...	0.407	0.067	0.1787	0.0682
MP	CrAg3F6	data_[Cr4Ag12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5787] _cell_length_b [8.5787] _cell_length_c [8.5787] _c...	0.204	0.091	0.1098	0.0864
MP	LiSbO3	data_[Li4Sb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.2703] _cell_length_b [4.9920] _cell_length_c [8.6088] _cel...	2.138	0.0	0.47	0.0
MP	Sm(ErS2)3	data_[Sm2Er6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Er 1.2400 1.7500 1.0300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.9993] _cell_length_b [3.9483] _cell_length_c [11.2655] ...	1.089	0.0	0.3306	0.0
MP	NaMnF3	data_[Na4Mn4F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8388] _cell_length_b [8.1238] _cell_length_c [5.6193] _cel...	2.747	0.0	0.5275	0.0
MP	Ge3Te2Se	data_[Ge3Te2Se1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1641] _cell_length_b [4.1641] _cell_length_c [10.2241] _...	0.335	0.031	0.1564	0.0374
MP	Ca4NdB3O10	data_[Ca8Nd2B6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nd 1.1400 1.8500 1.2765 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.1864] _cell_length_b [16.1815]...	4.369	0.0	0.6395	0.0
MP	Zn3(GaN2)2	data_[Zn12Ga8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.7638] _cell_length_b [9.3996] _cell_length_c [5.3652] _ce...	0.276	0.161	0.1365	0.133
MP	SnPCl9	data_[Sn2P2Cl18] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4163] _cell_length_b [9.3595] _cell_length_c [10.0020] _cel...	2.434	0.0	0.4994	0.0
MP	LiSnPO4	data_[Li2Sn2P2O8] 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 [I-4] _cell_length_a [5.2656] _cell_length_b [5.2656] ...	3.072	0.091	0.5539	0.0864
MP	Ba2Ho2CuPtO8	data_[Ba8Ho8Cu4Pt4O32] 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 Cu 1.9000 1.3500 0.8200 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length...	0.262	0.014	0.1315	0.0199
MP	FeSCl7	data_[Fe4S4Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1258] _cell_length_b [12.5994] _cell_length_c [12.1716] ...	0.686	0.054	0.2511	0.0577
MP	Cs2TlBiCl6	data_[Cs8Tl4Bi4Cl24] 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 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5821] _cell_length_b [...	2.202	0.008	0.4766	0.0128
MP	Bi(BO2)3	data_[Bi4B12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [18.6156] _cell_length_b [4.5049] _cell_length_c [4.3248] _c...	3.859	0.0	0.609	0.0
MP	ZnH8C2(SN3)2	data_[Zn2H16C4S4N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...	4.283	0.173	0.6346	0.1403
MP	SiO2	data_[Si16O32] 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 [I4/mmm] _cell_length_a [13.1422] _cell_length_b [13.1422] _cell_length_c [5.2931] _cell_angle_alpha [90.0000] _ce...	5.547	0.014	0.6992	0.0199
MP	Li4Cr2Ni3Sn(PO4)6	data_[Li4Cr2Ni3Sn1P6O24] 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 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...	2.004	0.106	0.4556	0.0971
MP	CdH20C4S4(NO6)2	data_[Cd1H20C4S4N2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...	4.837	0.248	0.6648	0.1824
MP	BaH2N2O5	data_[Ba6H12N12O30] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_1] _cell_length_a [7.1757] _cell_length_b [7.1757...	2.397	0.093	0.4959	0.0879
MP	CaMg30ZnO32	data_[Ca1Mg30Zn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5631] _cell_length_b [8...	4.14	0.018	0.6262	0.0243
MP	Mg(WS2)2	data_[Mg8W16S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.2310] _cell_length_b [10.2310] _cell_length_c [10.2310] _...	0.164	0.545	0.0935	0.3129
MP	TeAs(BrF2)3	data_[Te4As4Br12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1768] _cell_length_b [1...	3.098	0.0	0.5559	0.0
MP	FeCo(BiO3)2	data_[Fe1Co1Bi2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.7628] _cell_length_b [3.762...	0.535	0.048	0.2143	0.0526
MP	Na2SmPCO7	data_[Na4Sm2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sm 1.1700 1.8500 1.2290 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/m] _cell_length_a...	4.639	0.027	0.6544	0.0335
MP	Sr18Co12O35	data_[Sr36Co24O70] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.2034] _cell_length_b [20.5892] _cell_length_c [7.7403] _c...	0.035	0.026	0.0285	0.0325
MP	CrOF	data_[Cr2O2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.0480] _cell_length_b [3.9499] _cell_length_c [6.7869] _cell_a...	2.552	0.014	0.5103	0.0199
MP	WN2	data_[W3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [5.7804] _cell_length_b [5.7804] _cell_length_c [6.3307] _cell_angle_alpha [90.0000] _cell_ang...	1.003	0.102	0.3154	0.0943
MP	AsNO4	data_[As4N4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [9.4318] _cell_length_b [9.4318] _cell_length_c [4.8885] _cell...	0.958	0.987	0.3071	0.4507
MP	Li4Ni5SnO12	data_[Li8Ni10Sn2O24] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.1213] _cell_length_b [8.6...	0.562	0.063	0.2213	0.0651
MP	Li4CrFe2Ni3(PO4)6	data_[Li4Cr1Fe2Ni3P6O24] 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 Fe 1.8300 1.4000 0.8525 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...	1.428	0.092	0.3836	0.0871
MP	ErP2H7O10	data_[Er4P8H28O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 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 [Pnna] _cell_length_a [9.7742] _cell_length_b [11.0033...	2.569	0.634	0.5119	0.3447
MP	TbH8C21(O2F3)5	data_[Tb2H16C42O20F30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...	3.592	0.288	0.5915	0.2029
MP	FeOF	data_[Fe6O6F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.7462] _cell_length_b [5.6780] _cell_length_c [7.7856] _cell_ang...	1.65	0.102	0.4135	0.0943
MP	La12Ge5S28	data_[La12Ge5S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.3653] _cell_length_b [11.7687] _cell_length_c [11.9131] _c...	0.988	0.005	0.3127	0.0088
MP	AlF3	data_[Al3F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [5.1195] _cell_length_b [5.1195] _cell_length_c [6.3495] _cell_angle_alpha [90.0000] _cell_ang...	7.426	0.003	0.7734	0.0058
MP	LiAg(CO2)2	data_[Li2Ag2C4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.6999] _cell_length_b [5.5305] ...	2.127	0.175	0.4688	0.1414
MP	Na2EuC(OF)3	data_[Na16Eu8C8O24F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Eu 1.2000 1.8500 1.1985 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a...	0.025	0.0	0.0219	0.0
MP	EuZr4O9	data_[Eu2Zr8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.5822] _cell_length_b [19.0725] _cell_length_c [5.2525] _ce...	0.206	0.092	0.1105	0.0871
MP	YTaOs2	data_[Y2Ta2Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ta 1.5000 1.4500 0.8200 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.8895] _cell_length_b [11.6763] _cell_length_c [16.5237] _ce...	0.125	4.149	0.0763	0.904
MP	LiV(CO3)2	data_[Li2V2C4O12] 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 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 [6.1836] _cell_length_b [4.6256] ...	2.182	0.081	0.4746	0.079
MP	Ba2In2Si3SO10	data_[Ba8In8Si12S4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_lengt...	2.892	0.0	0.5396	0.0
MP	Bi2BrClO2	data_[Bi2Br1Cl1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.9474] _cell_length_b [3.947...	2.346	0.01	0.491	0.0152
MP	K2LiMnPCO7	data_[K4Li2Mn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 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_na...	3.5	0.062	0.5852	0.0643
MP	Li3V(PO4)2	data_[Li6V2P4O16] 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 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 [7.1417] _cell_length_b [5.3593...	1.894	0.074	0.4432	0.0737
MP	Li2Ge7O15	data_[Li8Ge28O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [7.4666] _cell_length_b [17.0428] _cell_length_c [9.8843] _c...	3.088	0.05	0.5551	0.0544
MP	Y6NiBr10	data_[Y6Ni1Br10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ni 1.9100 1.3500 0.7400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3421] _cell_length_b [9.1611] _cell_length_c [9.1858] _cell...	0.482	0.0	0.2001	0.0
MP	RbNa2B6BrO10	data_[Rb4Na8B24Br4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_...	5.011	0.002	0.6737	0.0042
MP	YZr5O11	data_[Y1Zr5O11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [6.5706] _cell_length_b [3.5778] _cell_length_c [9.0769] _cell_an...	0.755	0.086	0.2664	0.0827
MP	NaZnPO4	data_[Na12Zn12P12O48] 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 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 [8.8018] _cell_length_b [8...	4.066	0.008	0.6218	0.0128
MP	BaMgV2CuO8	data_[Ba8Mg8V16Cu8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 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 [Iba2] _cell_length_...	0.129	0.035	0.0781	0.0411
MP	KErHSe2O9	data_[K2Er2H2Se4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 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 [P-1] _cell_length_a [5...	0.21	0.088	0.1121	0.0842
MP	CsSi2H18C6N	data_[Cs8Si16H144C48N8] 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 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_...	2.822	0.025	0.5338	0.0315
MP	PbO	data_[Pb32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [5.4060] _cell_length_b [5.7455] _cell_length_c [45.9315] _cell_angle_alpha [90.0000] _cell_...	1.537	0.001	0.3987	0.0024
MP	Ba6Zr(Zn3S7)2	data_[Ba24Zr4Zn24S56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [16.5671] _cell_length_b ...	1.477	0.008	0.3905	0.0128
MP	LiCrPO5	data_[Li8Cr8P8O40] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.2664] _cell_length_b [5.249...	0.413	0.058	0.1805	0.061
MP	CaNd2Ti2ZnO9	data_[Ca4Nd8Ti8Zn4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	2.469	0.034	0.5027	0.0402
MP	K2Hg3(GeS4)2	data_[K8Hg12Ge8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Aea2] _cell_length_a [19.6647] _cell_length_b [9.80...	1.552	0.0	0.4007	0.0
MP	K2NaNb(OF2)2	data_[K4Na2Nb2O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 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 [P4_2/mnm] _cell_length_...	2.427	0.088	0.4987	0.0842
MP	H6CNF	data_[H24C4N4F4] 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 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [9.1591] _cell_length_b [5.9079] _c...	5.745	0.108	0.7081	0.0985
MP	KV5Zn(H8O11)2	data_[K2V10Zn2H32O44] 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 Zn 1.6500 1.3500 0.8800 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...	2.498	0.025	0.5054	0.0315
MP	Li3Mn2(SiO4)2	data_[Li6Mn4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.7349] _cell_length_b [7.2191...	1.061	0.079	0.3257	0.0775
MP	Rb2Al2B2O7	data_[Rb8Al8B8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.0102] _cell_length_b [7.66...	4.179	0.0	0.6285	0.0
MP	Li14V9(P2O7)8	data_[Li14V9P16O56] 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 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 [9.7649] _cell_length_b [10.8701...	2.53	0.047	0.5083	0.0518
MP	Cs2NaUCl6	data_[Cs8Na4U4Cl24] 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 U 1.3800 1.7500 0.9913 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0814] _cell_length_b [11...	0.5	0.0	0.205	0.0

MP

LaHoSi2O7

data_[La4Ho4Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ho 1.2300 1.7500 1.0410 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 [5.4429] _cell_length_b [8....

4.962

0.0

0.6712

0.0

MP

CuPO4

data_[Cu2P2O8] 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 [I-4] _cell_length_a [5.4210] _cell_length_b [5.4210] _cell_length_c [5.2501] _cell_an...

0.126

0.049

0.0767

0.0535

MP

GdI3O11

data_[Gd2I6O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0769] _cell_length_b [7.5781] _cell_length_c [10.7561] _cell_...

0.322

0.286

0.1521

0.2019

MP

H5C2S2N3

data_[H20C8S8N12] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.3143] _cell_length_b [10.7404] ...

2.18

0.065

0.4744

0.0667

MP

B36O5

data_[B72O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4105] _cell_length_b [7.4104] _cell_length_c [11.5930] _cell_angle_alpha [87.3402] _cell_ang...

2.56

0.016

0.511

0.0221

MP

PPdS

data_[P8Pd8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.8799] _cell_length_b [5.7092] _cell_length_c [5.7382] _cell_...

1.014

0.0

0.3174

0.0

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 [Cmc2_1] _cell_length_a [9.4288] _cell_length_b [5.8348] _cell_length_c [5.1766] _cell...

2.617

0.002

0.5161

0.0042

MP

LiAlH8C16(O2F9)4

data_[Li2Al2H16C32O16F72] 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 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group...

5.817

0.189

0.7112

0.1497

MP

KDy(MoO4)2

data_[K4Dy4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Dy 1.2200 1.7500 1.1310 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 [10.7821] _cell_length_b [10.43...

3.21

0.015

0.5644

0.021

MP

K6Co2O5

data_[K12Co4O10] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [6.6602] _cell_length_b [6.6602] _cell_length_c [11.9594] ...

0.697

0.0

0.2536

0.0

MP

Li2Co2SiO6

data_[Li8Co8Si4O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [8.5487] _cell_length_b [5.07...

0.726

0.143

0.2601

0.1217

MP

SiTc2Ge

data_[Si2Tc4Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Tc 1.9000 1.3500 0.7417 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.3890] _cell_length_b [10.3528] _cell_length_c [14.6388] _...

0.117

3.036

0.0725

0.7948

MP

Na10SrSn12

data_[Na20Sr2Sn24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [11.3562] _cell_length_b [11.3562] _cell_length_c [11.356...

0.67

0.0

0.2474

0.0

MP

BiTeRh

data_[Bi4Te4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [6.6042] _cell_length_b [6.6042] _cell_length_c [6.6042] _c...

0.162

0.0

0.0926

0.0

MP

Li3Mn3(BO3)4

data_[Li6Mn6B8O24] 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 [Pc] _cell_length_a [5.3465] _cell_length_b [9.0777] ...

0.784

0.095

0.2726

0.0893

MP

LaTiNO2

data_[La4Ti4N4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5931] _cell_length_b [5.5937] _...

0.556

0.07

0.2197

0.0706

MP

Rb3Ce(PSe4)2

data_[Rb12Ce4P8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ce 1.1200 1.8500 1.0800 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6882] _cell_length_b [1...

0.214

0.0

0.1137

0.0

MP

NaNdC4O11

data_[Na4Nd4C16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [12.8592] _cell_length_b [7.52...

0.882

0.601

0.2926

0.3332

MP

RbPbCl3

data_[Rb1Pb1Cl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.7231] _cell_length_b [5.7231] _cell_length_c [5.7231] _c...

2.196

0.038

0.476

0.0438

MP

KCrNiOF6

data_[K4Cr4Ni4O4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [...

0.473

0.237

0.1977

0.1765

MP

U(PO3)4

data_[U2P8O24] 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 [P-1] _cell_length_a [8.3319] _cell_length_b [8.3350] _cell_length_c [8.5881] _cell_ang...

0.234

0.014

0.1213

0.0199

MP

RbHo(PO3)4

data_[Rb4Ho4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [10.3866] _cell_length_b [8....

5.505

0.004

0.6973

0.0073

MP

Ni6OF11

data_[Ni12O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.1107] _cell_length_b [6.6207] _cell_length_c [7.3586] _cell_a...

0.885

0.036

0.2932

0.042

MP

LiNb(PO3)4

data_[Li2Nb2P8O24] 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 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 [7.4212] _cell_length_b [7.4542]...

0.164

0.075

0.0935

0.0745

MP

Sr6Mg7H26

data_[Sr12Mg14H52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.2598] _cell_length_b [5.6361] _cell_length_c [11.5686] ...

2.989

0.004

0.5474

0.0073

MP

MnTe4(H3N)6

data_[Mn4Te16H72N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.0755] _cell_length_b [18...

0.142

0.06

0.0839

0.0626

MP

NaCa3ScZn3(SiO3)8

data_[Na2Ca6Sc2Zn6Si16O48] 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 Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_g...

4.38

0.029

0.6401

0.0354

MP

NpUP4H4(CO8)2

data_[Np2U2P8H8C4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Np 1.3600 1.7500 1.0000 U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 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...

0.039

0.464

0.031

0.2815

MP

Fe2OF3

data_[Fe8O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [5.7772] _cell_length_b [4.7431] _cell_length_c [10.7658] _ce...

1.574

0.086

0.4036

0.0827

MP

Ag3SI

data_[Ag3S1I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.0203] _cell_length_b [4.8761] _cell_length_c [5.0599] _cell_ang...

0.262

0.077

0.1315

0.076

MP

Ta2Pd3Se8

data_[Ta4Pd6Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [11.1999] _cell_length_b [15.6481] _cell_length_c [3.6110] ...

0.526

0.0

0.212

0.0

MP

LiLa2RuO6

data_[Li2La4Ru2O12] 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 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.5667] _cell_length_b [5....

0.294

0.0

0.1427

0.0

MP

V2GaO5

data_[V12Ga6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1284] _cell_length_b [9.1451] _cell_length_c [9.9570] _cell_...

0.46

0.014

0.194

0.0199

MP

Li2Mn3F8

data_[Li8Mn12F32] 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 [P2_1/c] _cell_length_a [6.0947] _cell_length_b [10.3690] _cell_length_c [10.9405]...

3.476

0.032

0.5835

0.0383

MP

Fe2O3

data_[Fe16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.1648] _cell_length_b [5.4072] _cell_length_c [15.0509] _cell_angle_alpha [90.0000] _cell_...

1.566

0.113

0.4026

0.1019

MP

Li3V3O3F5

data_[Li6V6O6F10] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.5849] _cell_length_b [6.0230] _...

0.861

0.085

0.2884

0.082

MP

LiMnP2O7

data_[Li8Mn8P16O56] 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 [9.7382] _cell_length_b [9.7499]...

0.407

0.067

0.1787

0.0682

MP

CrAg3F6

data_[Cr4Ag12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5787] _cell_length_b [8.5787] _cell_length_c [8.5787] _c...

0.204

0.091

0.1098

0.0864

MP

LiSbO3

data_[Li4Sb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.2703] _cell_length_b [4.9920] _cell_length_c [8.6088] _cel...

2.138

0.0

0.47

0.0

MP

Sm(ErS2)3

data_[Sm2Er6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Er 1.2400 1.7500 1.0300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.9993] _cell_length_b [3.9483] _cell_length_c [11.2655] ...

1.089

0.0

0.3306

0.0

MP

NaMnF3

data_[Na4Mn4F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8388] _cell_length_b [8.1238] _cell_length_c [5.6193] _cel...

2.747

0.0

0.5275

0.0

MP

Ge3Te2Se

data_[Ge3Te2Se1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1641] _cell_length_b [4.1641] _cell_length_c [10.2241] _...

0.335

0.031

0.1564

0.0374

MP

Ca4NdB3O10

data_[Ca8Nd2B6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nd 1.1400 1.8500 1.2765 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.1864] _cell_length_b [16.1815]...

4.369

0.0

0.6395

0.0

MP

Zn3(GaN2)2

data_[Zn12Ga8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.7638] _cell_length_b [9.3996] _cell_length_c [5.3652] _ce...

0.276

0.161

0.1365

0.133

MP

SnPCl9

data_[Sn2P2Cl18] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4163] _cell_length_b [9.3595] _cell_length_c [10.0020] _cel...

2.434

0.0

0.4994

0.0

MP

LiSnPO4

data_[Li2Sn2P2O8] 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 [I-4] _cell_length_a [5.2656] _cell_length_b [5.2656] ...

3.072

0.091

0.5539

0.0864

MP

Ba2Ho2CuPtO8

data_[Ba8Ho8Cu4Pt4O32] 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 Cu 1.9000 1.3500 0.8200 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length...

0.262

0.014

0.1315

0.0199

MP

FeSCl7

data_[Fe4S4Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1258] _cell_length_b [12.5994] _cell_length_c [12.1716] ...

0.686

0.054

0.2511

0.0577

MP

Cs2TlBiCl6

data_[Cs8Tl4Bi4Cl24] 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 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5821] _cell_length_b [...

2.202

0.008

0.4766

0.0128

MP

Bi(BO2)3

data_[Bi4B12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [18.6156] _cell_length_b [4.5049] _cell_length_c [4.3248] _c...

3.859

0.0

0.609

0.0

MP

ZnH8C2(SN3)2

data_[Zn2H16C4S4N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...

4.283

0.173

0.6346

0.1403

MP

SiO2

data_[Si16O32] 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 [I4/mmm] _cell_length_a [13.1422] _cell_length_b [13.1422] _cell_length_c [5.2931] _cell_angle_alpha [90.0000] _ce...

5.547

0.014

0.6992

0.0199

MP

Li4Cr2Ni3Sn(PO4)6

data_[Li4Cr2Ni3Sn1P6O24] 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 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...

2.004

0.106

0.4556

0.0971

MP

CdH20C4S4(NO6)2

data_[Cd1H20C4S4N2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...

4.837

0.248

0.6648

0.1824

MP

BaH2N2O5

data_[Ba6H12N12O30] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_1] _cell_length_a [7.1757] _cell_length_b [7.1757...

2.397

0.093

0.4959

0.0879

MP

CaMg30ZnO32

data_[Ca1Mg30Zn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5631] _cell_length_b [8...

4.14

0.018

0.6262

0.0243

MP

Mg(WS2)2

data_[Mg8W16S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.2310] _cell_length_b [10.2310] _cell_length_c [10.2310] _...

0.164

0.545

0.0935

0.3129

MP

TeAs(BrF2)3

data_[Te4As4Br12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1768] _cell_length_b [1...

3.098

0.0

0.5559

0.0

MP

FeCo(BiO3)2

data_[Fe1Co1Bi2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.7628] _cell_length_b [3.762...

0.535

0.048

0.2143

0.0526

MP

Na2SmPCO7

data_[Na4Sm2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sm 1.1700 1.8500 1.2290 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/m] _cell_length_a...

4.639

0.027

0.6544

0.0335

MP

Sr18Co12O35

data_[Sr36Co24O70] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.2034] _cell_length_b [20.5892] _cell_length_c [7.7403] _c...

0.035

0.026

0.0285

0.0325

MP

CrOF

data_[Cr2O2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.0480] _cell_length_b [3.9499] _cell_length_c [6.7869] _cell_a...

2.552

0.014

0.5103

0.0199

MP

WN2

data_[W3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [5.7804] _cell_length_b [5.7804] _cell_length_c [6.3307] _cell_angle_alpha [90.0000] _cell_ang...

1.003

0.102

0.3154

0.0943

MP

AsNO4

data_[As4N4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [9.4318] _cell_length_b [9.4318] _cell_length_c [4.8885] _cell...

0.958

0.987

0.3071

0.4507

MP

Li4Ni5SnO12

data_[Li8Ni10Sn2O24] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.1213] _cell_length_b [8.6...

0.562

0.063

0.2213

0.0651

MP

Li4CrFe2Ni3(PO4)6

data_[Li4Cr1Fe2Ni3P6O24] 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 Fe 1.8300 1.4000 0.8525 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...

1.428

0.092

0.3836

0.0871

MP

ErP2H7O10

data_[Er4P8H28O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 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 [Pnna] _cell_length_a [9.7742] _cell_length_b [11.0033...

2.569

0.634

0.5119

0.3447

MP

TbH8C21(O2F3)5

data_[Tb2H16C42O20F30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...

3.592

0.288

0.5915

0.2029

MP

FeOF

data_[Fe6O6F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.7462] _cell_length_b [5.6780] _cell_length_c [7.7856] _cell_ang...

1.65

0.102

0.4135

0.0943

MP

La12Ge5S28

data_[La12Ge5S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.3653] _cell_length_b [11.7687] _cell_length_c [11.9131] _c...

0.988

0.005

0.3127

0.0088

MP

AlF3

data_[Al3F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [5.1195] _cell_length_b [5.1195] _cell_length_c [6.3495] _cell_angle_alpha [90.0000] _cell_ang...

7.426

0.003

0.7734

0.0058

MP

LiAg(CO2)2

data_[Li2Ag2C4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.6999] _cell_length_b [5.5305] ...

2.127

0.175

0.4688

0.1414

MP

Na2EuC(OF)3

data_[Na16Eu8C8O24F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Eu 1.2000 1.8500 1.1985 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a...

0.025

0.0

0.0219

0.0

MP

EuZr4O9

data_[Eu2Zr8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.5822] _cell_length_b [19.0725] _cell_length_c [5.2525] _ce...

0.206

0.092

0.1105

0.0871

MP

YTaOs2

data_[Y2Ta2Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ta 1.5000 1.4500 0.8200 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.8895] _cell_length_b [11.6763] _cell_length_c [16.5237] _ce...

0.125

4.149

0.0763

0.904

MP

LiV(CO3)2

data_[Li2V2C4O12] 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 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 [6.1836] _cell_length_b [4.6256] ...

2.182

0.081

0.4746

0.079

MP

Ba2In2Si3SO10

data_[Ba8In8Si12S4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_lengt...

2.892

0.0

0.5396

0.0

MP

Bi2BrClO2

data_[Bi2Br1Cl1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.9474] _cell_length_b [3.947...

2.346

0.01

0.491

0.0152

MP

K2LiMnPCO7

data_[K4Li2Mn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 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_na...

3.5

0.062

0.5852

0.0643

MP

Li3V(PO4)2

data_[Li6V2P4O16] 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 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 [7.1417] _cell_length_b [5.3593...

1.894

0.074

0.4432

0.0737

MP

Li2Ge7O15

data_[Li8Ge28O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [7.4666] _cell_length_b [17.0428] _cell_length_c [9.8843] _c...

3.088

0.05

0.5551

0.0544

MP

Y6NiBr10

data_[Y6Ni1Br10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ni 1.9100 1.3500 0.7400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3421] _cell_length_b [9.1611] _cell_length_c [9.1858] _cell...

0.482

0.0

0.2001

0.0

MP

RbNa2B6BrO10

data_[Rb4Na8B24Br4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_...

5.011

0.002

0.6737

0.0042

MP

YZr5O11

data_[Y1Zr5O11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [6.5706] _cell_length_b [3.5778] _cell_length_c [9.0769] _cell_an...

0.755

0.086

0.2664

0.0827

MP

NaZnPO4

data_[Na12Zn12P12O48] 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 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 [8.8018] _cell_length_b [8...

4.066

0.008

0.6218

0.0128

MP

BaMgV2CuO8

data_[Ba8Mg8V16Cu8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 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 [Iba2] _cell_length_...

0.129

0.035

0.0781

0.0411

MP

KErHSe2O9

data_[K2Er2H2Se4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 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 [P-1] _cell_length_a [5...

0.21

0.088

0.1121

0.0842

MP

CsSi2H18C6N

data_[Cs8Si16H144C48N8] 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 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_...

2.822

0.025

0.5338

0.0315

MP

PbO

data_[Pb32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [5.4060] _cell_length_b [5.7455] _cell_length_c [45.9315] _cell_angle_alpha [90.0000] _cell_...

1.537

0.001

0.3987

0.0024

MP

Ba6Zr(Zn3S7)2

data_[Ba24Zr4Zn24S56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [16.5671] _cell_length_b ...

1.477

0.008

0.3905

0.0128

MP

LiCrPO5

data_[Li8Cr8P8O40] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.2664] _cell_length_b [5.249...

0.413

0.058

0.1805

0.061

MP

CaNd2Ti2ZnO9

data_[Ca4Nd8Ti8Zn4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

2.469

0.034

0.5027

0.0402

MP

K2Hg3(GeS4)2

data_[K8Hg12Ge8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Aea2] _cell_length_a [19.6647] _cell_length_b [9.80...

1.552

0.0

0.4007

0.0

MP

K2NaNb(OF2)2

data_[K4Na2Nb2O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 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 [P4_2/mnm] _cell_length_...

2.427

0.088

0.4987

0.0842

MP

H6CNF

data_[H24C4N4F4] 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 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [9.1591] _cell_length_b [5.9079] _c...

5.745

0.108

0.7081

0.0985

MP

KV5Zn(H8O11)2

data_[K2V10Zn2H32O44] 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 Zn 1.6500 1.3500 0.8800 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...

2.498

0.025

0.5054

0.0315

MP

Li3Mn2(SiO4)2

data_[Li6Mn4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.7349] _cell_length_b [7.2191...

1.061

0.079

0.3257

0.0775

MP

Rb2Al2B2O7

data_[Rb8Al8B8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.0102] _cell_length_b [7.66...

4.179

0.0

0.6285

0.0

MP

Li14V9(P2O7)8

data_[Li14V9P16O56] 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 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 [9.7649] _cell_length_b [10.8701...

2.53

0.047

0.5083

0.0518

MP

Cs2NaUCl6

data_[Cs8Na4U4Cl24] 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 U 1.3800 1.7500 0.9913 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0814] _cell_length_b [11...

0.5

0.0

0.205

0.0