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	BeH24C8S4(ClO2)2	data_[Be8H192C64S32Cl16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_gro...	3.67	0.186	0.5967	0.1479
MP	LiVF5	data_[Li4V4F20] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.8073] _cell_length_b [9.9314] _cell_length_c [7.3208] _cell_...	2.133	0.046	0.4695	0.0509
MP	SrSiO3	data_[Sr1Si1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.6989] _cell_length_b [3.6989] _cell_length_c [3.6989] _cel...	2.383	0.324	0.4946	0.2203
MP	MnSbO4	data_[Mn1Sb1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.2803] _cell_length_b [3.0272] _cell_length_c [5.7214] _cell...	1.316	0.08	0.3671	0.0783
MP	Ca4PtO6	data_[Ca24Pt6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.4379] _cell_length_b [9.4379] _cell_length_c [11.3143] _c...	2.341	0.002	0.4905	0.0042
MP	Cs3H12N4F3	data_[Cs12H48N16F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [10.4862] _cell_length_b [10....	4.838	0.0	0.6649	0.0
MP	TmAg(WO4)2	data_[Tm4Ag4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ag 1.9300 1.6000 1.0867 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.9689] _cell_length_b [10.747...	3.144	0.009	0.5594	0.014
MP	TiNiO3	data_[Ti12Ni12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0767] _cell_length_b [5.4994] _cell_length_c [25.2477] _ce...	1.496	0.016	0.3931	0.0221
MP	Ca7RuN6	data_[Ca28Ru4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ru 2.2000 1.3000 0.6610 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [11.0227] _cell_length_b [6.2531] _cell_length_c [13.2966] _...	0.252	0.05	0.1279	0.0544
MP	Tm6WO12	data_[Tm18W3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 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 [9.7030] _cell_length_b [9.7030] _cell_length_c [9.2456] _cell_...	3.367	0.0	0.5758	0.0
MP	K2Te(WO4)3	data_[K8Te4W12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4002] _cell_length_b [11.95...	2.871	0.0	0.5378	0.0
MP	MnSiOs2	data_[Mn2Si2Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.5150] _cell_length_b [10.1968] _cell_length_c [13.9326] _...	0.193	3.823	0.1054	0.875
MP	Y2Te3MoO12	data_[Y8Te12Mo4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [18.0080] _cell_length_b [11.2...	2.984	0.001	0.547	0.0024
MP	Li3MnCr3O8	data_[Li9Mn3Cr9O24] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.9161] _cell_length_b [5.91...	1.717	0.078	0.422	0.0768
MP	NaFe(MoO4)2	data_[Na4Fe4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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 [10.0212] _cell_length_b [5.3...	2.119	0.004	0.468	0.0073
MP	LiMnPO4	data_[Li4Mn4P4O16] 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 [P-1] _cell_length_a [5.6966] _cell_length_b [6.3334]...	3.553	0.046	0.5888	0.0509
MP	CaH20C4S4(NO6)2	data_[Ca1H20C4S4N2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 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...	5.8	0.224	0.7105	0.1695
MP	Na17Zr7Sc5Si6(PO6)12	data_[Na17Zr7Sc5Si6P12O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...	4.151	0.025	0.6269	0.0315
MP	CsSbS6	data_[Cs4Sb4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1443] _cell_length_b [15.5060] _cell_length_c [11.5640] ...	1.82	0.0	0.4345	0.0
MP	Li3Ni(OF)2	data_[Li6Ni2O4F4] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.0298] _cell_length_b [5.8734]...	0.53	0.082	0.213	0.0798
MP	K2U7O22	data_[K4U14O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [6.9824] _cell_length_b [19.7873] _cell_length_c [7.3697] _cell_...	1.432	0.038	0.3841	0.0438
MP	Li9V4(PO4)6	data_[Li9V4P6O24] 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 [P1] _cell_length_a [8.4871] _cell_length_b [8.4960] _c...	0.009	0.047	0.0097	0.0518
MP	Ba5In3F19	data_[Ba40In24F152] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_3] _cell_length_a [15.2502] _cell_length_b [15.2502] _cell_length_c [15.7967...	4.738	0.007	0.6597	0.0115
MP	Sr7PrFe4(MoO6)4	data_[Sr7Pr1Fe4Mo4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pr 1.1300 1.8500 1.0600 Fe 1.8300 1.4000 0.8525 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	0.978	0.006	0.3108	0.0101
MP	Na5SbO5	data_[Na10Sb2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.9008] _cell_length_b [4.4671] _cell_length_c [6.4845] _cel...	1.654	0.001	0.4141	0.0024
MP	Ba2Zn(BO2)6	data_[Ba4Zn2B12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 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 [7.2330] _cell_length_b [7.2740...	4.277	0.006	0.6343	0.0101
MP	Co5Te4(ClO6)2	data_[Co20Te16Cl8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.1812] _cell_length_b [5...	2.365	0.018	0.4928	0.0243
MP	VF5	data_[V4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.6063] _cell_length_b [6.7871] _cell_length_c [6.2763] _cell_angle_alpha [90.0000] _cell_angl...	3.16	0.082	0.5606	0.0798
MP	Ba2Zn(HO)6	data_[Ba4Zn2H12O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [P2_1/c] _cell_length_a [9.4523] _cell_length_b [5.9...	2.667	0.744	0.5206	0.3808
MP	Nb3(BiO3)5	data_[Nb6Bi10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnc2] _cell_length_a [22.1221] _cell_length_b [5.5257] _cell_length_c [5.5983] _c...	1.267	0.02	0.3596	0.0264
MP	Pt(I3N2)2	data_[Pt2I12N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [7.9546] _cell_length_b [8.4924] _cell_length_c [10.8188] _cell...	0.247	1.44	0.1261	0.5557
MP	TbSeI	data_[Tb2Se2I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [12.1678] _cell_length_b [15.9621] _cell_length_c [42.7964] _c...	0.078	2.986	0.0532	0.7892
MP	NdSF	data_[Nd2S2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9528] _cell_length_b [3.9528] _cell_length_c [6.9929] _cell...	1.236	0.0	0.3548	0.0
MP	Ba2MoO3F4	data_[Ba8Mo4O12F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.6422] _cell_length_b [9.5777...	3.225	0.0	0.5655	0.0
MP	In2Te9RuCl8	data_[In8Te36Ru4Cl32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 Ru 2.2000 1.3000 0.6610 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.9180] _cell_length_b [...	1.309	0.025	0.3661	0.0315
MP	Sb2N5F11	data_[Sb16N40F88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.1919] _cell_length_b [12.9117] _cell_length_c [17.1131] _...	3.962	0.073	0.6154	0.0729
MP	Nd3Cu3Bi4	data_[Nd12Cu12Bi16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.9550] _cell_length_b [9.9550] _cell_length_c [9.9550]...	0.358	0.0	0.1637	0.0
MP	CaCd(CO3)2	data_[Ca3Cd3C6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.0406] _cell_length_b [5.0406]...	3.336	0.0	0.5736	0.0
MP	PrLuS3	data_[Pr4Lu4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Lu 1.2700 1.7500 1.0010 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8926] _cell_length_b [12.6051] _cell_length_c [9.5224] _ce...	0.785	0.0	0.2728	0.0
MP	AlPO4	data_[Al3P3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_422] _cell_length_a [5.1606] _cell_length_b [5.1606] _cell_length_c [11.3609] _ce...	5.485	0.011	0.6964	0.0164
MP	Li3Cr3NiO8	data_[Li9Cr9Ni3O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8448] _cell_length_b [5.84...	0.369	0.056	0.1672	0.0594
MP	KAg2SbS4	data_[K2Ag4Sb2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.8033] _cell_length_b [6.8033...	0.57	0.006	0.2233	0.0101
MP	GePdS3	data_[Ge4Pd4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.1144] _cell_length_b [3.5004] _cell_length_c [9.3972] _ce...	1.344	0.0	0.3713	0.0
MP	ZrAg2	data_[Zr2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.5824] _cell_length_b [3.5824] _cell_length_c [9.0589] _cell_angle_alpha [90.0000] _cell...	0.001	0.04	0.0017	0.0456
MP	MnPO4	data_[Mn12P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.9932] _cell_length_b [12.0335] _cell_length_c [6.8850] _c...	1.046	0.025	0.3231	0.0315
MP	LiNi(PO3)3	data_[Li4Ni4P12O36] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.4187] _cell_length_b ...	4.753	0.0	0.6605	0.0
MP	CuS2(N2O3)2	data_[Cu2S4N8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 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 [6.7577] _cell_length_b [10.014...	0.102	1.465	0.0654	0.5608
MP	Ca4MgB4H6(CO9)2	data_[Ca8Mg2B8H12C4O36] 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 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_n...	4.347	0.048	0.6383	0.0526
MP	Co3OF5	data_[Co6O2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [4.6925] _cell_length_b [5.6992] _cell_length_c [7.8414] _cell_an...	0.093	0.066	0.0609	0.0675
MP	Li2Te2O5	data_[Li16Te16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccn] _cell_length_a [8.4512] _cell_length_b [24.5153] _cell_length_c [5.3180] _...	3.154	0.0	0.5601	0.0
MP	Mn2P2O7	data_[Mn4P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.6039] _cell_length_b [10.4411] _cell_length_c [5.4705] _ce...	3.536	0.001	0.5877	0.0024
MP	KPd2O3	data_[K6Pd12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pd 2.2000 1.4000 0.8462 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.2458] _cell_length_b [6.2458] _cell_length_c [18.5212] _cel...	0.265	0.0	0.1326	0.0
MP	SbP(OF3)2	data_[Sb2P2O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 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-1] _cell_length_a [5.7003] _cell_length_b [7.5581] _...	4.415	0.0	0.6421	0.0
MP	Na5Zr4Si3(PO8)3	data_[Na15Zr12Si9P9O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_...	4.173	0.02	0.6282	0.0264
MP	Na3CoSiBO7	data_[Na6Co2Si2B2O14] 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 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	0.036	0.06	0.0291	0.0626
MP	Li2CoCO4	data_[Li8Co4C4O16] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6986] _cell_length_b [5.09...	2.581	0.088	0.5129	0.0842
MP	V3(SbCl12)2	data_[V12Sb8Cl96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4_2/mbc] _cell_length_a [15.2671] _cell_length_b [15.2671] _cell_length_c [15.50...	0.026	0.0	0.0225	0.0
MP	LiMg30CoO32	data_[Li1Mg30Co1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5062] _cell_length_b [8...	2.181	0.009	0.4745	0.014
MP	LiNiBO3	data_[Li3Ni3B3O9] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6] _cell_length_a [8.0760] _cell_length_b [8.0760] ...	3.038	0.027	0.5512	0.0335
MP	Li2GaHg	data_[Li4Ga2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.9202] _cell_length_b [11.1472] _cell_length_c [15.4111] ...	0.003	1.188	0.004	0.5007
MP	Ba3Fe2WO9	data_[Ba6Fe4W2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.8601] _cell_length_b [5.86...	1.516	0.0	0.3958	0.0
MP	Li6CrFeP2(CO7)2	data_[Li6Cr1Fe1P2C2O14] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...	2.486	0.057	0.5043	0.0602
MP	Cd(GaO2)2	data_[Cd12Ga24O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [6.1755] _cell_length_b [6.1755] _cell_length_c [30.4618] _...	0.623	0.023	0.2363	0.0295
MP	Li2Sm(NO3)5	data_[Li8Sm4N20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [9.0144] _cell_length_b [10.54...	3.696	0.0	0.5984	0.0
MP	Rb6Nb6H14O27	data_[Rb12Nb12H28O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nb 1.6000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.7829] _cell_length_b [10.61...	0.24	0.078	0.1235	0.0768
MP	Y7TmO12	data_[Y28Tm4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I2_12_12_1] _cell_length_a [10.6679] _cell_length_b [10.6699] _cell_length_c [10.67...	4.221	0.002	0.631	0.0042
MP	MgTl2H12(SeO7)2	data_[Mg2Tl4H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 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...	3.984	0.0	0.6168	0.0
MP	Sr2WO5	data_[Sr8W4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.3826] _cell_length_b [5.6158] _cell_length_c [11.0999] _cell...	3.188	0.011	0.5627	0.0164
MP	KTbF5	data_[K6Tb6F30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4163] _cell_length_b [8.5815] _cell_length_c [11.1777] _cell_...	0.015	0.009	0.0146	0.014
MP	Ba(GdSe2)2	data_[Ba4Gd8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Gd 1.2000 1.8000 1.0750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.9331] _cell_length_b [4.2767] _cell_length_c [15.3457] ...	1.225	0.0	0.3531	0.0
MP	V2Cd(PO5)2	data_[V8Cd4P8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 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 [5.2463] _cell_length_b [8.1061...	2.2	0.01	0.4764	0.0152
MP	La4Ti3O12	data_[La12Ti9O36] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.6022] _cell_length_b [5.6022] _cell_length_c [26.3701] _ce...	2.918	0.037	0.5417	0.0429
MP	CuH8N2(OF2)2	data_[Cu2H16N4O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 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_1/c] _cell_length_a [...	0.577	0.195	0.2251	0.1532
MP	BaIn2O4	data_[Ba8In16O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.5772] _cell_length_b [5.9299] _cell_length_c [14.6744]...	1.091	0.014	0.3309	0.0199
MP	Ag5GeO4	data_[Ag20Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.5462] _cell_length_b [10.0719] _cell_length_c [11.2600]...	0.729	0.021	0.2607	0.0275
MP	Li6Ti3Cr(PO4)6	data_[Li6Ti3Cr1P6O24] 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 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 [P1] _cell_length_a [...	0.063	0.078	0.0451	0.0768
MP	Cs2AgBiCl6	data_[Cs8Ag4Bi4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 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 [10.9581] _cell_length_b [...	1.866	0.0	0.4399	0.0
MP	PCl5	data_[P4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a [9.7510] _cell_length_b [9.7510] _cell_length_c [7.5976] _cell_angle_alpha [90.0000] _cell_an...	1.794	0.004	0.4314	0.0073
MP	Ba(SO2)2	data_[Ba8S16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [18.2477] _cell_length_b [7.5999] _cell_length_c [7.6782] _cel...	2.414	0.319	0.4975	0.218
MP	Li2AgF5	data_[Li2Ag1F5] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.6580] _cell_length_b [5.0133] _cell_length_c [5.9614] _cell_a...	0.827	0.065	0.2815	0.0667
MP	P3Ru	data_[P12Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9242] _cell_length_b [5.9769] _cell_length_c [8.1461] _cell_angle_alpha [68.6757] _cell_ang...	1.145	0.0	0.3401	0.0
MP	HoTa3O9	data_[Ho4Ta12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4639] _cell_length_b [7.6334] _cell_length_c [12.5864] _c...	2.675	0.034	0.5213	0.0402
MP	KP2W7O25	data_[K2P4W14O50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [Cm] _cell_length_a [27.6321] _cell_length_b [5.4659] _c...	0.58	0.021	0.2258	0.0275
MP	Tl2AgI3	data_[Tl18Ag9I27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [10.7556] _cell_length_b [10.7556] _cell_length_c [20.1469] _...	2.37	0.027	0.4933	0.0335
MP	NaCO2	data_[Na4C4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [3.5514] _cell_length_b [5.2973] _cell_length_c [10.6002] _cel...	3.409	0.007	0.5788	0.0115
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 [P-42_1c] _cell_length_a [11.5935] _cell_length_b [11.5935] _cell_length_c [5.1922] _cell_angle_alpha [90.0000] _c...	5.601	0.104	0.7017	0.0957
MP	H10C2N12O5	data_[H40C8N48O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.0673] _cell_length_b [8.2026]...	2.956	0.412	0.5447	0.2599
MP	Sr2CoCO3F5	data_[Sr8Co4C4O12F20] 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 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 [P2_1/c] _cell_length_...	1.811	0.065	0.4335	0.0667
MP	CoPO4	data_[Co4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [8.6448] _cell_length_b [6.6228] _cell_length_c [4.7590] _cell_...	0.873	0.135	0.2908	0.1166
MP	NiH12(ClO3)2	data_[Ni2H24Cl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 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 [C2/m] _cell_length_a [10.3190] _cell_length_b [7.06...	1.413	0.0	0.3814	0.0
MP	NaV3F10	data_[Na8V24F80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [13.2555] _cell_length_b [15.9241] _cell_length_c [7.5976] _ce...	1.324	0.094	0.3683	0.0886
MP	Ca3Cr2(SiO4)3	data_[Ca24Cr16Si24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.1576] _cell_length_b ...	3.248	0.0	0.5672	0.0
MP	Li8(CoO2)5	data_[Li8Co5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.3673] _cell_length_b [6.6442] _cell_length_c [8.0641] _cell_...	0.669	0.049	0.2472	0.0535
MP	SmAsO4	data_[Sm4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [7.2939] _cell_length_b [7.2939] _cell_length_c [6.4591] ...	3.689	0.0	0.598	0.0
MP	RbZnP2O9	data_[Rb2Zn2P4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [P-1] _cell_length_a [7.2319] _cell_length_b [7.7111]...	0.526	0.599	0.212	0.3325
MP	Mg(B6C)2	data_[Mg4B48C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.6154] _cell_length_b [9.8222] _cell_length_c [7.9365] _cell_...	2.14	0.0	0.4702	0.0
MP	TmCO4	data_[Tm8C8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [9.4640] _cell_length_b [9.4640] _cell_length_c [7.8330] _c...	0.488	0.048	0.2018	0.0526
MP	Li3H4Rh	data_[Li12H16Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7735] _cell_length_b [9.0157] _cell_length_c [8.8465] _ce...	0.392	0.0	0.1742	0.0
MP	Hf2Sb3	data_[Hf2Sb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.8267] _cell_length_b [8.8267] _cell_length_c [34.7181] _cell_angle_alpha [90.0000] _cel...	0.192	3.403	0.105	0.8343
MP	Li3IrN2	data_[Li12Ir4N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2055] _cell_length_b [8.1367] _cell_length_c [7.6375] _c...	0.876	0.011	0.2914	0.0164

MP

BeH24C8S4(ClO2)2

data_[Be8H192C64S32Cl16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_gro...

3.67

0.186

0.5967

0.1479

MP

LiVF5

data_[Li4V4F20] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.8073] _cell_length_b [9.9314] _cell_length_c [7.3208] _cell_...

2.133

0.046

0.4695

0.0509

MP

SrSiO3

data_[Sr1Si1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.6989] _cell_length_b [3.6989] _cell_length_c [3.6989] _cel...

2.383

0.324

0.4946

0.2203

MP

MnSbO4

data_[Mn1Sb1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.2803] _cell_length_b [3.0272] _cell_length_c [5.7214] _cell...

1.316

0.08

0.3671

0.0783

MP

Ca4PtO6

data_[Ca24Pt6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.4379] _cell_length_b [9.4379] _cell_length_c [11.3143] _c...

2.341

0.002

0.4905

0.0042

MP

Cs3H12N4F3

data_[Cs12H48N16F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [10.4862] _cell_length_b [10....

4.838

0.0

0.6649

0.0

MP

TmAg(WO4)2

data_[Tm4Ag4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ag 1.9300 1.6000 1.0867 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.9689] _cell_length_b [10.747...

3.144

0.009

0.5594

0.014

MP

TiNiO3

data_[Ti12Ni12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0767] _cell_length_b [5.4994] _cell_length_c [25.2477] _ce...

1.496

0.016

0.3931

0.0221

MP

Ca7RuN6

data_[Ca28Ru4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ru 2.2000 1.3000 0.6610 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [11.0227] _cell_length_b [6.2531] _cell_length_c [13.2966] _...

0.252

0.05

0.1279

0.0544

MP

Tm6WO12

data_[Tm18W3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 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 [9.7030] _cell_length_b [9.7030] _cell_length_c [9.2456] _cell_...

3.367

0.0

0.5758

0.0

MP

K2Te(WO4)3

data_[K8Te4W12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4002] _cell_length_b [11.95...

2.871

0.0

0.5378

0.0

MP

MnSiOs2

data_[Mn2Si2Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.5150] _cell_length_b [10.1968] _cell_length_c [13.9326] _...

0.193

3.823

0.1054

0.875

MP

Y2Te3MoO12

data_[Y8Te12Mo4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [18.0080] _cell_length_b [11.2...

2.984

0.001

0.547

0.0024

MP

Li3MnCr3O8

data_[Li9Mn3Cr9O24] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.9161] _cell_length_b [5.91...

1.717

0.078

0.422

0.0768

MP

NaFe(MoO4)2

data_[Na4Fe4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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 [10.0212] _cell_length_b [5.3...

2.119

0.004

0.468

0.0073

MP

LiMnPO4

data_[Li4Mn4P4O16] 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 [P-1] _cell_length_a [5.6966] _cell_length_b [6.3334]...

3.553

0.046

0.5888

0.0509

MP

CaH20C4S4(NO6)2

data_[Ca1H20C4S4N2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 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...

5.8

0.224

0.7105

0.1695

MP

Na17Zr7Sc5Si6(PO6)12

data_[Na17Zr7Sc5Si6P12O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...

4.151

0.025

0.6269

0.0315

MP

CsSbS6

data_[Cs4Sb4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1443] _cell_length_b [15.5060] _cell_length_c [11.5640] ...

1.82

0.0

0.4345

0.0

MP

Li3Ni(OF)2

data_[Li6Ni2O4F4] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.0298] _cell_length_b [5.8734]...

0.53

0.082

0.213

0.0798

MP

K2U7O22

data_[K4U14O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [6.9824] _cell_length_b [19.7873] _cell_length_c [7.3697] _cell_...

1.432

0.038

0.3841

0.0438

MP

Li9V4(PO4)6

data_[Li9V4P6O24] 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 [P1] _cell_length_a [8.4871] _cell_length_b [8.4960] _c...

0.009

0.047

0.0097

0.0518

MP

Ba5In3F19

data_[Ba40In24F152] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_3] _cell_length_a [15.2502] _cell_length_b [15.2502] _cell_length_c [15.7967...

4.738

0.007

0.6597

0.0115

MP

Sr7PrFe4(MoO6)4

data_[Sr7Pr1Fe4Mo4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pr 1.1300 1.8500 1.0600 Fe 1.8300 1.4000 0.8525 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

0.978

0.006

0.3108

0.0101

MP

Na5SbO5

data_[Na10Sb2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.9008] _cell_length_b [4.4671] _cell_length_c [6.4845] _cel...

1.654

0.001

0.4141

0.0024

MP

Ba2Zn(BO2)6

data_[Ba4Zn2B12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 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 [7.2330] _cell_length_b [7.2740...

4.277

0.006

0.6343

0.0101

MP

Co5Te4(ClO6)2

data_[Co20Te16Cl8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.1812] _cell_length_b [5...

2.365

0.018

0.4928

0.0243

MP

VF5

data_[V4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.6063] _cell_length_b [6.7871] _cell_length_c [6.2763] _cell_angle_alpha [90.0000] _cell_angl...

3.16

0.082

0.5606

0.0798

MP

Ba2Zn(HO)6

data_[Ba4Zn2H12O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [P2_1/c] _cell_length_a [9.4523] _cell_length_b [5.9...

2.667

0.744

0.5206

0.3808

MP

Nb3(BiO3)5

data_[Nb6Bi10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnc2] _cell_length_a [22.1221] _cell_length_b [5.5257] _cell_length_c [5.5983] _c...

1.267

0.02

0.3596

0.0264

MP

Pt(I3N2)2

data_[Pt2I12N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [7.9546] _cell_length_b [8.4924] _cell_length_c [10.8188] _cell...

0.247

1.44

0.1261

0.5557

MP

TbSeI

data_[Tb2Se2I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [12.1678] _cell_length_b [15.9621] _cell_length_c [42.7964] _c...

0.078

2.986

0.0532

0.7892

MP

NdSF

data_[Nd2S2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9528] _cell_length_b [3.9528] _cell_length_c [6.9929] _cell...

1.236

0.0

0.3548

0.0

MP

Ba2MoO3F4

data_[Ba8Mo4O12F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.6422] _cell_length_b [9.5777...

3.225

0.0

0.5655

0.0

MP

In2Te9RuCl8

data_[In8Te36Ru4Cl32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 Ru 2.2000 1.3000 0.6610 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.9180] _cell_length_b [...

1.309

0.025

0.3661

0.0315

MP

Sb2N5F11

data_[Sb16N40F88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.1919] _cell_length_b [12.9117] _cell_length_c [17.1131] _...

3.962

0.073

0.6154

0.0729

MP

Nd3Cu3Bi4

data_[Nd12Cu12Bi16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.9550] _cell_length_b [9.9550] _cell_length_c [9.9550]...

0.358

0.0

0.1637

0.0

MP

CaCd(CO3)2

data_[Ca3Cd3C6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.0406] _cell_length_b [5.0406]...

3.336

0.0

0.5736

0.0

MP

PrLuS3

data_[Pr4Lu4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Lu 1.2700 1.7500 1.0010 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8926] _cell_length_b [12.6051] _cell_length_c [9.5224] _ce...

0.785

0.0

0.2728

0.0

MP

AlPO4

data_[Al3P3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_422] _cell_length_a [5.1606] _cell_length_b [5.1606] _cell_length_c [11.3609] _ce...

5.485

0.011

0.6964

0.0164

MP

Li3Cr3NiO8

data_[Li9Cr9Ni3O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8448] _cell_length_b [5.84...

0.369

0.056

0.1672

0.0594

MP

KAg2SbS4

data_[K2Ag4Sb2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.8033] _cell_length_b [6.8033...

0.57

0.006

0.2233

0.0101

MP

GePdS3

data_[Ge4Pd4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.1144] _cell_length_b [3.5004] _cell_length_c [9.3972] _ce...

1.344

0.0

0.3713

0.0

MP

ZrAg2

data_[Zr2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.5824] _cell_length_b [3.5824] _cell_length_c [9.0589] _cell_angle_alpha [90.0000] _cell...

0.001

0.04

0.0017

0.0456

MP

MnPO4

data_[Mn12P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.9932] _cell_length_b [12.0335] _cell_length_c [6.8850] _c...

1.046

0.025

0.3231

0.0315

MP

LiNi(PO3)3

data_[Li4Ni4P12O36] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.4187] _cell_length_b ...

4.753

0.0

0.6605

0.0

MP

CuS2(N2O3)2

data_[Cu2S4N8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 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 [6.7577] _cell_length_b [10.014...

0.102

1.465

0.0654

0.5608

MP

Ca4MgB4H6(CO9)2

data_[Ca8Mg2B8H12C4O36] 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 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_n...

4.347

0.048

0.6383

0.0526

MP

Co3OF5

data_[Co6O2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [4.6925] _cell_length_b [5.6992] _cell_length_c [7.8414] _cell_an...

0.093

0.066

0.0609

0.0675

MP

Li2Te2O5

data_[Li16Te16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccn] _cell_length_a [8.4512] _cell_length_b [24.5153] _cell_length_c [5.3180] _...

3.154

0.0

0.5601

0.0

MP

Mn2P2O7

data_[Mn4P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.6039] _cell_length_b [10.4411] _cell_length_c [5.4705] _ce...

3.536

0.001

0.5877

0.0024

MP

KPd2O3

data_[K6Pd12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pd 2.2000 1.4000 0.8462 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.2458] _cell_length_b [6.2458] _cell_length_c [18.5212] _cel...

0.265

0.0

0.1326

0.0

MP

SbP(OF3)2

data_[Sb2P2O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 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-1] _cell_length_a [5.7003] _cell_length_b [7.5581] _...

4.415

0.0

0.6421

0.0

MP

Na5Zr4Si3(PO8)3

data_[Na15Zr12Si9P9O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_...

4.173

0.02

0.6282

0.0264

MP

Na3CoSiBO7

data_[Na6Co2Si2B2O14] 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 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

0.036

0.06

0.0291

0.0626

MP

Li2CoCO4

data_[Li8Co4C4O16] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6986] _cell_length_b [5.09...

2.581

0.088

0.5129

0.0842

MP

V3(SbCl12)2

data_[V12Sb8Cl96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4_2/mbc] _cell_length_a [15.2671] _cell_length_b [15.2671] _cell_length_c [15.50...

0.026

0.0

0.0225

0.0

MP

LiMg30CoO32

data_[Li1Mg30Co1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5062] _cell_length_b [8...

2.181

0.009

0.4745

0.014

MP

LiNiBO3

data_[Li3Ni3B3O9] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6] _cell_length_a [8.0760] _cell_length_b [8.0760] ...

3.038

0.027

0.5512

0.0335

MP

Li2GaHg

data_[Li4Ga2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.9202] _cell_length_b [11.1472] _cell_length_c [15.4111] ...

0.003

1.188

0.004

0.5007

MP

Ba3Fe2WO9

data_[Ba6Fe4W2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.8601] _cell_length_b [5.86...

1.516

0.0

0.3958

0.0

MP

Li6CrFeP2(CO7)2

data_[Li6Cr1Fe1P2C2O14] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...

2.486

0.057

0.5043

0.0602

MP

Cd(GaO2)2

data_[Cd12Ga24O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [6.1755] _cell_length_b [6.1755] _cell_length_c [30.4618] _...

0.623

0.023

0.2363

0.0295

MP

Li2Sm(NO3)5

data_[Li8Sm4N20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [9.0144] _cell_length_b [10.54...

3.696

0.0

0.5984

0.0

MP

Rb6Nb6H14O27

data_[Rb12Nb12H28O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nb 1.6000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.7829] _cell_length_b [10.61...

0.24

0.078

0.1235

0.0768

MP

Y7TmO12

data_[Y28Tm4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I2_12_12_1] _cell_length_a [10.6679] _cell_length_b [10.6699] _cell_length_c [10.67...

4.221

0.002

0.631

0.0042

MP

MgTl2H12(SeO7)2

data_[Mg2Tl4H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 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...

3.984

0.0

0.6168

0.0

MP

Sr2WO5

data_[Sr8W4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.3826] _cell_length_b [5.6158] _cell_length_c [11.0999] _cell...

3.188

0.011

0.5627

0.0164

MP

KTbF5

data_[K6Tb6F30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4163] _cell_length_b [8.5815] _cell_length_c [11.1777] _cell_...

0.015

0.009

0.0146

0.014

MP

Ba(GdSe2)2

data_[Ba4Gd8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Gd 1.2000 1.8000 1.0750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.9331] _cell_length_b [4.2767] _cell_length_c [15.3457] ...

1.225

0.0

0.3531

0.0

MP

V2Cd(PO5)2

data_[V8Cd4P8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 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 [5.2463] _cell_length_b [8.1061...

2.2

0.01

0.4764

0.0152

MP

La4Ti3O12

data_[La12Ti9O36] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.6022] _cell_length_b [5.6022] _cell_length_c [26.3701] _ce...

2.918

0.037

0.5417

0.0429

MP

CuH8N2(OF2)2

data_[Cu2H16N4O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 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_1/c] _cell_length_a [...

0.577

0.195

0.2251

0.1532

MP

BaIn2O4

data_[Ba8In16O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.5772] _cell_length_b [5.9299] _cell_length_c [14.6744]...

1.091

0.014

0.3309

0.0199

MP

Ag5GeO4

data_[Ag20Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.5462] _cell_length_b [10.0719] _cell_length_c [11.2600]...

0.729

0.021

0.2607

0.0275

MP

Li6Ti3Cr(PO4)6

data_[Li6Ti3Cr1P6O24] 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 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 [P1] _cell_length_a [...

0.063

0.078

0.0451

0.0768

MP

Cs2AgBiCl6

data_[Cs8Ag4Bi4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 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 [10.9581] _cell_length_b [...

1.866

0.0

0.4399

0.0

MP

PCl5

data_[P4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a [9.7510] _cell_length_b [9.7510] _cell_length_c [7.5976] _cell_angle_alpha [90.0000] _cell_an...

1.794

0.004

0.4314

0.0073

MP

Ba(SO2)2

data_[Ba8S16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [18.2477] _cell_length_b [7.5999] _cell_length_c [7.6782] _cel...

2.414

0.319

0.4975

0.218

MP

Li2AgF5

data_[Li2Ag1F5] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.6580] _cell_length_b [5.0133] _cell_length_c [5.9614] _cell_a...

0.827

0.065

0.2815

0.0667

MP

P3Ru

data_[P12Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9242] _cell_length_b [5.9769] _cell_length_c [8.1461] _cell_angle_alpha [68.6757] _cell_ang...

1.145

0.0

0.3401

0.0

MP

HoTa3O9

data_[Ho4Ta12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4639] _cell_length_b [7.6334] _cell_length_c [12.5864] _c...

2.675

0.034

0.5213

0.0402

MP

KP2W7O25

data_[K2P4W14O50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [Cm] _cell_length_a [27.6321] _cell_length_b [5.4659] _c...

0.58

0.021

0.2258

0.0275

MP

Tl2AgI3

data_[Tl18Ag9I27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [10.7556] _cell_length_b [10.7556] _cell_length_c [20.1469] _...

2.37

0.027

0.4933

0.0335

MP

NaCO2

data_[Na4C4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [3.5514] _cell_length_b [5.2973] _cell_length_c [10.6002] _cel...

3.409

0.007

0.5788

0.0115

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 [P-42_1c] _cell_length_a [11.5935] _cell_length_b [11.5935] _cell_length_c [5.1922] _cell_angle_alpha [90.0000] _c...

5.601

0.104

0.7017

0.0957

MP

H10C2N12O5

data_[H40C8N48O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.0673] _cell_length_b [8.2026]...

2.956

0.412

0.5447

0.2599

MP

Sr2CoCO3F5

data_[Sr8Co4C4O12F20] 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 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 [P2_1/c] _cell_length_...

1.811

0.065

0.4335

0.0667

MP

CoPO4

data_[Co4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [8.6448] _cell_length_b [6.6228] _cell_length_c [4.7590] _cell_...

0.873

0.135

0.2908

0.1166

MP

NiH12(ClO3)2

data_[Ni2H24Cl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 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 [C2/m] _cell_length_a [10.3190] _cell_length_b [7.06...

1.413

0.0

0.3814

0.0

MP

NaV3F10

data_[Na8V24F80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [13.2555] _cell_length_b [15.9241] _cell_length_c [7.5976] _ce...

1.324

0.094

0.3683

0.0886

MP

Ca3Cr2(SiO4)3

data_[Ca24Cr16Si24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.1576] _cell_length_b ...

3.248

0.0

0.5672

0.0

MP

Li8(CoO2)5

data_[Li8Co5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.3673] _cell_length_b [6.6442] _cell_length_c [8.0641] _cell_...

0.669

0.049

0.2472

0.0535

MP

SmAsO4

data_[Sm4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [7.2939] _cell_length_b [7.2939] _cell_length_c [6.4591] ...

3.689

0.0

0.598

0.0

MP

RbZnP2O9

data_[Rb2Zn2P4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [P-1] _cell_length_a [7.2319] _cell_length_b [7.7111]...

0.526

0.599

0.212

0.3325

MP

Mg(B6C)2

data_[Mg4B48C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.6154] _cell_length_b [9.8222] _cell_length_c [7.9365] _cell_...

2.14

0.0

0.4702

0.0

MP

TmCO4

data_[Tm8C8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [9.4640] _cell_length_b [9.4640] _cell_length_c [7.8330] _c...

0.488

0.048

0.2018

0.0526

MP

Li3H4Rh

data_[Li12H16Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7735] _cell_length_b [9.0157] _cell_length_c [8.8465] _ce...

0.392

0.0

0.1742

0.0

MP

Hf2Sb3

data_[Hf2Sb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.8267] _cell_length_b [8.8267] _cell_length_c [34.7181] _cell_angle_alpha [90.0000] _cel...

0.192

3.403

0.105

0.8343

MP

Li3IrN2

data_[Li12Ir4N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2055] _cell_length_b [8.1367] _cell_length_c [7.6375] _c...

0.876

0.011

0.2914

0.0164