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	Na8Al6Si6O25	data_[Na24Al18Si18O75] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [12.7015] _cell_length_b [12...	1.847	0.045	0.4377	0.0501
MP	AcFeO3	data_[Ac1Fe1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ac 1.1000 1.9500 1.2600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0144] _cell_length_b [4.0144] _cell_length_c [4.0144] _cel...	0.989	0.0	0.3129	0.0
MP	V2MoO8	data_[V4Mo2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [19.0797] _cell_length_b [3.7232] _cell_length_c [4.3134] _cell_a...	1.409	0.015	0.3808	0.021
MP	SiBr4	data_[Si4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.2315] _cell_length_b [7.3402] _cell_length_c [11.3811] _cell_angle_alpha [90.0000] _c...	4.113	0.0	0.6246	0.0
MP	VO2	data_[V8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.2103] _cell_length_b [9.1911] _cell_length_c [5.4000] _cell_angle_alpha [90.0000] _cell_angl...	0.886	0.012	0.2934	0.0176
MP	Sm3Si6N11	data_[Sm6Si12N22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [10.0703] _cell_length_b [10.0703] _cell_length_c [4.8935] _...	3.011	0.0	0.5491	0.0
MP	KTaS5	data_[K8Ta8S40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [15.5928] _cell_length_b [6.4972] _cell_length_c [15.9327] _c...	1.303	0.0	0.3652	0.0
MP	BaSrAg2	data_[Ba2Sr2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.9815] _cell_length_b [13.4122] _cell_length_c [19.0162] ...	0.17	1.319	0.096	0.5302
MP	Tl2CrO4	data_[Tl8Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.0932] _cell_length_b [5.9738] _cell_length_c [11.2644] _ce...	2.516	0.012	0.507	0.0176
MP	Ba3GeO	data_[Ba12Ge4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.7656] _cell_length_b [10.8911] _cell_length_c [7.6109] _ce...	0.153	0.0	0.0888	0.0
MP	UTa2S6Cl6O	data_[U2Ta4S12Cl12O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...	0.183	0.0	0.1014	0.0
MP	Sr5P3O14	data_[Sr10P6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.9091] _cell_length_b [9.9091] _cell_length_c [7.3123] _ce...	0.125	0.258	0.0763	0.1876
MP	Cs2RbAlBr6	data_[Cs8Rb4Al4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Al 1.6100 1.2500 0.6750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6361] _cell_length_b [...	3.224	0.067	0.5654	0.0682
MP	KSc(MoO4)2	data_[K1Sc1Mo2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.8850] _cell_length_b [5.8850...	3.616	0.0	0.5931	0.0
MP	CaH2	data_[Ca4H8] 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 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.3607] _cell_length_b [3.7875] _cell_length_c [6.6830] _cell_angle_alpha [90.0000] _cell_ang...	0.705	0.056	0.2554	0.0594
MP	Pr6S4BrN3	data_[Pr24S16Br4N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6112] _cell_length_b [4.0...	1.38	0.0	0.3766	0.0
MP	LiNi(PO3)3	data_[Li3Ni3P9O27] 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 [R3] _cell_length_a [10.0556] _cell_length_b [10.0556...	4.908	0.029	0.6685	0.0354
MP	LiCr2(PO4)3	data_[Li4Cr8P12O48] 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 [Cc] _cell_length_a [14.7805] _cell_length_b [8.5375...	0.101	0.033	0.0649	0.0392
MP	Sr15La2Cl36	data_[Sr45La6Cl108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.9957] _cell_length_b [4.9957] _cell_length_c [209.1430]...	2.544	0.045	0.5096	0.0501
MP	BaRe2H12C3N6O11	data_[Ba4Re8H48C12N24O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Re 1.9000 1.3500 0.7125 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...	2.974	0.007	0.5462	0.0115
MP	Nd2CdS4	data_[Nd8Cd4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.4740] _cell_length_b [8.4740] _cell_length_c [8.8680] _ce...	1.923	0.096	0.4465	0.09
MP	SiO2	data_[Si56O112] 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 [Pbcm] _cell_length_a [12.5202] _cell_length_b [29.0555] _cell_length_c [8.4375] _cell_angle_alpha [90.0000] _cel...	5.821	0.018	0.7114	0.0243
MP	CaCoP2O7	data_[Ca2Co2P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [P-1] _cell_length_a [6.3501] _cell_length_b [6.5864]...	2.854	0.017	0.5364	0.0232
MP	Fe2GeSe4	data_[Fe8Ge4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.5581] _cell_length_b [7.3441] _cell_length_c [6.1831] _...	0.125	0.173	0.0763	0.1403
MP	Li2Cr2O7	data_[Li4Cr4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5088] _cell_length_b [6.6879] _cell_length_c [7.1915] _cell_...	1.186	0.073	0.3468	0.0729
MP	Ag2Hg7(P4Br3)2	data_[Ag4Hg14P16Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 P 2.1900 1.0000 0.5500 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.1193] _cell_length_b [1...	0.772	0.011	0.2701	0.0164
MP	RbAlSi3O8	data_[Rb2Al2Si6O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3628] _cell_length_b [7.787...	4.901	0.0	0.6681	0.0
MP	LiFeF4	data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4328] _cell_length_b [3.0563] _cell_length_c [15.4961] _ce...	3.25	0.036	0.5673	0.042
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 [P-1] _cell_length_a [4.6764] _cell_length_b [5.6284] _cell_length_c [7.8881] _cell_an...	1.437	0.122	0.3848	0.108
MP	Li2B4H4O9	data_[Li16B32H32O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.5653] _cell_length_b [12.228...	5.145	0.012	0.6803	0.0176
MP	Co2H21I7(N2O)3	data_[Co8H84I28N24O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a ...	0.089	0.051	0.0589	0.0552
MP	Na4CO4	data_[Na12C3O12] 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 [R3] _cell_length_a [6.6687] _cell_length_b [6.6687] _cell_length_c [8.3512] _cell_a...	1.962	0.306	0.4509	0.2117
MP	NaCa2Si3HO9	data_[Na2Ca4Si6H2O18] 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 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...	4.849	0.0	0.6655	0.0
MP	RbC2I3N2	data_[Rb2C4I6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.3623] _cell_length_b [16.0948] ...	3.154	0.378	0.5601	0.2451
MP	TlBi3F10	data_[Tl8Bi24F80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Bi 2.0200 1.6000 1.0350 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.1579] _cell_length_b [12.1579] _cell_length_c [12.1579]...	4.44	0.0	0.6435	0.0
MP	KPaO3	data_[K1Pa1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pa 1.5000 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.3868] _cell_length_b [4.3868] _cell_length_c [4.3868] _cell_...	3.048	0.0	0.552	0.0
MP	Li6Co6O5F11	data_[Li6Co6O5F11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.0144] _cell_length_b [6.0443] ...	0.623	0.121	0.2363	0.1073
MP	Er8In3Co	data_[Er16In6Co2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 In 1.7800 1.5500 0.9400 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [10.2982] _cell_length_b [10.2982] _cell_length_c [6.9110...	0.002	0.0	0.0029	0.0
MP	LiPr(MoO4)2	data_[Li2Pr2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pr 1.1300 1.8500 1.0600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.1177] _cell_length_b [6.00...	3.092	0.059	0.5554	0.0618
MP	K2MnSe2	data_[K8Mn4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [7.1510] _cell_length_b [13.3335] _cell_length_c [6.5733] _cel...	0.99	0.0	0.3131	0.0
MP	Na2GeTeO6	data_[Na4Ge2Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [5.1841] _cell_length_b [5.1...	2.663	0.0	0.5202	0.0
MP	TiAlFeO5	data_[Ti4Al4Fe4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.7435] _cell_length_b [9....	1.626	0.037	0.4105	0.0429
MP	HoBO3	data_[Ho1B1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.4728] _cell_length_b [3.4728] _cell_length_c [3.4728] _cell_...	2.642	0.871	0.5184	0.4189
MP	Rb5In(MoO4)4	data_[Rb10In2Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [11.6548] _cell_length_b [8....	3.613	0.0	0.5929	0.0
MP	Y2Mg3(GeO4)3	data_[Y16Mg24Ge24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [12.4173] _cell_length_b...	3.879	0.023	0.6102	0.0295
MP	Mn5(FeO3)4	data_[Mn10Fe8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.1113] _cell_length_b [6.1266] _cell_length_c [13.6817] _cel...	0.323	0.072	0.1524	0.0722
MP	Hg2ClO	data_[Hg16Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 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 [12.3095] _cell_length_b [6.1063] _cell_length_c [9.7521] _ce...	1.586	0.014	0.4052	0.0199
MP	V6O7F5	data_[V6O7F5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.7533] _cell_length_b [6.0720] _cell_length_c [6.1454] _cell_angle...	1.315	0.083	0.367	0.0805
MP	B20H26O	data_[B80H104O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [25.6949] _cell_length_b [7.6922] _cell_length_c [10.3976] _cel...	1.09	0.204	0.3308	0.1583
MP	LiV4O5F7	data_[Li2V8O10F14] 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 [P1] _cell_length_a [5.3784] _cell_length_b [9.0547] _...	1.195	0.058	0.3483	0.061
MP	UF5	data_[U2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.8804] _cell_length_b [6.8804] _cell_length_c [4.5350] _cell_angle_alpha [90.0000] _cell_angl...	0.387	0.0	0.1727	0.0
MP	K3ZnPCO7	data_[K6Zn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 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 [...	4.061	0.031	0.6215	0.0374
MP	NaNbO3	data_[Na16Nb16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.9073] _cell_length_b [7.9527] _cell_length_c [15.9402] _...	1.632	0.033	0.4112	0.0392
MP	Mg30NbVO32	data_[Mg30Nb1V1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5517] _cell_length_b [8.5...	0.118	0.055	0.073	0.0585
MP	Zn3P2Pb3WO14	data_[Zn3P2Pb3W1O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [...	3.526	0.0	0.587	0.0
MP	KBi(PSe3)2	data_[K4Bi4P8Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 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 [12.6469] _cell_length_b [7.7...	1.614	0.0	0.4089	0.0
MP	Cs2KTbCl6	data_[Cs8K4Tb4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.3750] _cell_length_b [11...	5.088	0.0	0.6775	0.0
MP	FeAg(SeO3)2	data_[Fe4Ag4Se8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.1639] _cell_length_b [5...	1.179	0.0	0.3457	0.0
MP	Mg30MnSnO32	data_[Mg30Mn1Sn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6146] _cell_length_b [8...	1.854	0.055	0.4385	0.0585
MP	Na4Al3Si3BrO12	data_[Na8Al6Si6Br2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-43n] _cell_lengt...	4.793	0.0	0.6626	0.0
MP	KRb2BiF6	data_[K4Rb8Bi4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Bi 2.0200 1.6000 1.0350 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.6294] _cell_length_b [9.629...	4.797	0.006	0.6628	0.0101
MP	Sb2S2O9	data_[Sb8S8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [6.6833] _cell_length_b [6.6833] _cell_length_c [17.3857] _...	4.116	0.0	0.6248	0.0
MP	CuN3	data_[Cu8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [9.3180] _cell_length_b [9.3180] _cell_length_c [5.8001] _cell_angle_alpha [90.0000] _cel...	1.628	0.294	0.4107	0.2058
MP	CaSmCrO4	data_[Ca4Sm4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sm 1.1700 1.8500 1.2290 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [5.4221] _cell_length_b [11...	2.496	0.054	0.5052	0.0577
MP	Ca2HgPd	data_[Ca4Hg2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8263] _cell_length_b [12.3398] _cell_length_c [17.4061] ...	0.18	1.464	0.1001	0.5606
MP	Zn3Te2P2(PbO7)2	data_[Zn6Te4P4Pb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length...	2.994	0.0	0.5478	0.0
MP	Sr4Sn2Se9	data_[Sr16Sn8Se36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [12.1211] _cell_length_b [16.3604] _cell_length_c [8.7534]...	0.979	0.006	0.311	0.0101
MP	Ce4ThO10	data_[Ce16Th4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [31.8165] _cell_length_b [3.8911] _cell_length_c [6.7358] _c...	1.882	0.016	0.4418	0.0221
MP	NaFe(GeO3)2	data_[Na4Fe4Ge8O24] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1955] _cell_length_b [9.0...	1.585	0.0	0.4051	0.0
MP	In4P6Pb2O23	data_[In4P6Pb2O23] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.6749] _cell_length_b [8.3835] ...	3.711	0.006	0.5994	0.0101
MP	LiBiB2O5	data_[Li8Bi8B16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [C2/c] _cell_length_a [10.4347] _cell_length_b [10.8...	1.894	0.102	0.4432	0.0943
MP	Ba2SrCa3Mg2(SiO4)4	data_[Ba2Sr1Ca3Mg2Si4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...	4.895	0.017	0.6678	0.0232
MP	Cs2ZnCl4	data_[Cs8Zn4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9870] _cell_length_b [7.4334] _cell_length_c [13.3991] _...	4.811	0.0	0.6635	0.0
MP	Ca(H8O5)2	data_[Ca4H64O40] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.8366] _cell_length_b [8.7855] _cell_length_c [10.8923] _cell_...	3.904	0.004	0.6118	0.0073
MP	LiCu5(PO4)2	data_[Li1Cu5P2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1518] _cell_length_b [5.5517] _...	0.485	0.112	0.201	0.1012
MP	H2RuN2Cl5O	data_[H8Ru4N8Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...	0.456	0.88	0.1929	0.4214
MP	FeHC2O3	data_[Fe4H4C8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [3.3931] _cell_length_b [10.196...	2.376	0.186	0.4939	0.1479
MP	Na3Th10BeF45	data_[Na12Th40Be4F180] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Th 1.3000 1.8000 1.0800 Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/ncm] _cell_length_a [11.9513] _cell_length...	6.198	0.004	0.7273	0.0073
MP	KNa3Mg4F12	data_[K1Na3Mg4F12] 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 Mg 1.3100 1.5000 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.5463] _cell_length_b [7.8951] ...	6.57	0.015	0.7421	0.021
MP	Li7NbS6	data_[Li28Nb4S24] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.1819] _cell_length_b [10.1819] _cell_length_c [10.1819]...	2.363	0.067	0.4926	0.0682
MP	AlTeH6C2Cl3	data_[Al4Te4H24C8Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_...	3.973	0.065	0.6161	0.0667
MP	Na3U6FeF30	data_[Na6U12Fe2F60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [9.8812] _cell_length_b [9.88...	0.218	0.086	0.1152	0.0827
MP	Sr2Sc2B4O11	data_[Sr2Sc2B4O11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sc 1.3600 1.6000 0.8850 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 [5.1290] _cell_length_b [6.3513]...	4.347	0.006	0.6383	0.0101
MP	Re4Si7	data_[Re16Si28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [23.4080] _cell_length_b [3.1419] _cell_length_c [8.3723] _cell_angle_alpha [90.0000] _cell_...	0.007	0.091	0.0079	0.0864
MP	NdCuSe2	data_[Nd4Cu4Se8] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7450] _cell_length_b [7.5093] _cell_length_c [7.2199] _...	0.753	0.0	0.266	0.0
MP	Li4Nb5Cr3O16	data_[Li8Nb10Cr6O32] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.7071] _cell_length_b [6.06...	0.045	0.104	0.0347	0.0957
MP	Li3B11O18	data_[Li12B44O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [17.9976] _cell_length_b [7.9523] _cell_length_c [9.7719] _...	5.679	0.0	0.7052	0.0
MP	KFeBr4	data_[K4Fe4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [7.8430] _cell_length_b [10.4705] _cell_length_c [10.5261] _c...	0.953	0.0	0.3062	0.0
MP	BaCa(CO3)2	data_[Ba2Ca2C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 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 [6.6342] _cell_length_b [5.30...	4.703	0.006	0.6578	0.0101
MP	LiCaPrTeO6	data_[Li2Ca2Pr2Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...	3.453	0.019	0.5819	0.0254
MP	Li6Mn(BO3)3	data_[Li24Mn4B12O36] 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 [P2_1/c] _cell_length_a [6.9897] _cell_length_b [16...	1.258	0.064	0.3582	0.0659
MP	Mg(B3O8)2	data_[Mg4B24O64] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.5821] _cell_length_b [10.3405] _cell_length_c [10.5898] ...	0.009	0.682	0.0097	0.3609
MP	CsH3O2	data_[Cs2H6O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.4266] _cell_length_b [4.4362] _cell_length_c [8.1302] _cell_a...	4.095	0.0	0.6235	0.0
MP	Na2MgPO4F	data_[Na16Mg8P8O32F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 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 [Pbcn] _cell_length_a ...	4.736	0.0	0.6596	0.0
MP	CeZr11O24	data_[Ce1Zr11O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.9009] _cell_length_b [7.4826] _cell_length_c [9.7434] _cell...	1.957	0.017	0.4504	0.0232
MP	Lu2Te5O13	data_[Lu4Te10O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8979] _cell_length_b [8.7448] _cell_length_c [10.7026] _ce...	3.066	0.0	0.5534	0.0
MP	Ni2Sb2O7	data_[Ni16Sb16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.1944] _cell_length_b [10.1944] _cell_length_c [10.1944...	1.025	0.314	0.3194	0.2156
MP	B10H13	data_[B160H208] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4_1cd] _cell_length_a [12.1300] _cell_length_b [12.1300] _cell_length_c [23.7739] _cell_angle_alpha [90.0000] _c...	3.345	0.006	0.5743	0.0101
MP	Li2MnV(P2O7)2	data_[Li4Mn2V2P8O28] 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 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] _cell_length_a [...	0.446	0.013	0.1901	0.0188
MP	KCaBi	data_[K2Ca2Bi2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [5.4280] _cell_length_b [5.4280] _cell_length_c [8.5192] _ce...	0.827	0.0	0.2815	0.0

MP

Na8Al6Si6O25

data_[Na24Al18Si18O75] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [12.7015] _cell_length_b [12...

1.847

0.045

0.4377

0.0501

MP

AcFeO3

data_[Ac1Fe1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ac 1.1000 1.9500 1.2600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0144] _cell_length_b [4.0144] _cell_length_c [4.0144] _cel...

0.989

0.0

0.3129

0.0

MP

V2MoO8

data_[V4Mo2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [19.0797] _cell_length_b [3.7232] _cell_length_c [4.3134] _cell_a...

1.409

0.015

0.3808

0.021

MP

SiBr4

data_[Si4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.2315] _cell_length_b [7.3402] _cell_length_c [11.3811] _cell_angle_alpha [90.0000] _c...

4.113

0.0

0.6246

0.0

MP

VO2

data_[V8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.2103] _cell_length_b [9.1911] _cell_length_c [5.4000] _cell_angle_alpha [90.0000] _cell_angl...

0.886

0.012

0.2934

0.0176

MP

Sm3Si6N11

data_[Sm6Si12N22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [10.0703] _cell_length_b [10.0703] _cell_length_c [4.8935] _...

3.011

0.0

0.5491

0.0

MP

KTaS5

data_[K8Ta8S40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [15.5928] _cell_length_b [6.4972] _cell_length_c [15.9327] _c...

1.303

0.0

0.3652

0.0

MP

BaSrAg2

data_[Ba2Sr2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.9815] _cell_length_b [13.4122] _cell_length_c [19.0162] ...

0.17

1.319

0.096

0.5302

MP

Tl2CrO4

data_[Tl8Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.0932] _cell_length_b [5.9738] _cell_length_c [11.2644] _ce...

2.516

0.012

0.507

0.0176

MP

Ba3GeO

data_[Ba12Ge4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.7656] _cell_length_b [10.8911] _cell_length_c [7.6109] _ce...

0.153

0.0

0.0888

0.0

MP

UTa2S6Cl6O

data_[U2Ta4S12Cl12O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...

0.183

0.0

0.1014

0.0

MP

Sr5P3O14

data_[Sr10P6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.9091] _cell_length_b [9.9091] _cell_length_c [7.3123] _ce...

0.125

0.258

0.0763

0.1876

MP

Cs2RbAlBr6

data_[Cs8Rb4Al4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Al 1.6100 1.2500 0.6750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6361] _cell_length_b [...

3.224

0.067

0.5654

0.0682

MP

KSc(MoO4)2

data_[K1Sc1Mo2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.8850] _cell_length_b [5.8850...

3.616

0.0

0.5931

0.0

MP

CaH2

data_[Ca4H8] 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 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.3607] _cell_length_b [3.7875] _cell_length_c [6.6830] _cell_angle_alpha [90.0000] _cell_ang...

0.705

0.056

0.2554

0.0594

MP

Pr6S4BrN3

data_[Pr24S16Br4N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6112] _cell_length_b [4.0...

1.38

0.0

0.3766

0.0

MP

LiNi(PO3)3

data_[Li3Ni3P9O27] 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 [R3] _cell_length_a [10.0556] _cell_length_b [10.0556...

4.908

0.029

0.6685

0.0354

MP

LiCr2(PO4)3

data_[Li4Cr8P12O48] 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 [Cc] _cell_length_a [14.7805] _cell_length_b [8.5375...

0.101

0.033

0.0649

0.0392

MP

Sr15La2Cl36

data_[Sr45La6Cl108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.9957] _cell_length_b [4.9957] _cell_length_c [209.1430]...

2.544

0.045

0.5096

0.0501

MP

BaRe2H12C3N6O11

data_[Ba4Re8H48C12N24O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Re 1.9000 1.3500 0.7125 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...

2.974

0.007

0.5462

0.0115

MP

Nd2CdS4

data_[Nd8Cd4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.4740] _cell_length_b [8.4740] _cell_length_c [8.8680] _ce...

1.923

0.096

0.4465

0.09

MP

SiO2

data_[Si56O112] 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 [Pbcm] _cell_length_a [12.5202] _cell_length_b [29.0555] _cell_length_c [8.4375] _cell_angle_alpha [90.0000] _cel...

5.821

0.018

0.7114

0.0243

MP

CaCoP2O7

data_[Ca2Co2P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [P-1] _cell_length_a [6.3501] _cell_length_b [6.5864]...

2.854

0.017

0.5364

0.0232

MP

Fe2GeSe4

data_[Fe8Ge4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.5581] _cell_length_b [7.3441] _cell_length_c [6.1831] _...

0.125

0.173

0.0763

0.1403

MP

Li2Cr2O7

data_[Li4Cr4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5088] _cell_length_b [6.6879] _cell_length_c [7.1915] _cell_...

1.186

0.073

0.3468

0.0729

MP

Ag2Hg7(P4Br3)2

data_[Ag4Hg14P16Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 P 2.1900 1.0000 0.5500 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.1193] _cell_length_b [1...

0.772

0.011

0.2701

0.0164

MP

RbAlSi3O8

data_[Rb2Al2Si6O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3628] _cell_length_b [7.787...

4.901

0.0

0.6681

0.0

MP

LiFeF4

data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4328] _cell_length_b [3.0563] _cell_length_c [15.4961] _ce...

3.25

0.036

0.5673

0.042

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 [P-1] _cell_length_a [4.6764] _cell_length_b [5.6284] _cell_length_c [7.8881] _cell_an...

1.437

0.122

0.3848

0.108

MP

Li2B4H4O9

data_[Li16B32H32O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.5653] _cell_length_b [12.228...

5.145

0.012

0.6803

0.0176

MP

Co2H21I7(N2O)3

data_[Co8H84I28N24O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a ...

0.089

0.051

0.0589

0.0552

MP

Na4CO4

data_[Na12C3O12] 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 [R3] _cell_length_a [6.6687] _cell_length_b [6.6687] _cell_length_c [8.3512] _cell_a...

1.962

0.306

0.4509

0.2117

MP

NaCa2Si3HO9

data_[Na2Ca4Si6H2O18] 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 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...

4.849

0.0

0.6655

0.0

MP

RbC2I3N2

data_[Rb2C4I6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.3623] _cell_length_b [16.0948] ...

3.154

0.378

0.5601

0.2451

MP

TlBi3F10

data_[Tl8Bi24F80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Bi 2.0200 1.6000 1.0350 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.1579] _cell_length_b [12.1579] _cell_length_c [12.1579]...

4.44

0.0

0.6435

0.0

MP

KPaO3

data_[K1Pa1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pa 1.5000 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.3868] _cell_length_b [4.3868] _cell_length_c [4.3868] _cell_...

3.048

0.0

0.552

0.0

MP

Li6Co6O5F11

data_[Li6Co6O5F11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.0144] _cell_length_b [6.0443] ...

0.623

0.121

0.2363

0.1073

MP

Er8In3Co

data_[Er16In6Co2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 In 1.7800 1.5500 0.9400 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [10.2982] _cell_length_b [10.2982] _cell_length_c [6.9110...

0.002

0.0

0.0029

0.0

MP

LiPr(MoO4)2

data_[Li2Pr2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pr 1.1300 1.8500 1.0600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.1177] _cell_length_b [6.00...

3.092

0.059

0.5554

0.0618

MP

K2MnSe2

data_[K8Mn4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [7.1510] _cell_length_b [13.3335] _cell_length_c [6.5733] _cel...

0.99

0.0

0.3131

0.0

MP

Na2GeTeO6

data_[Na4Ge2Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [5.1841] _cell_length_b [5.1...

2.663

0.0

0.5202

0.0

MP

TiAlFeO5

data_[Ti4Al4Fe4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.7435] _cell_length_b [9....

1.626

0.037

0.4105

0.0429

MP

HoBO3

data_[Ho1B1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.4728] _cell_length_b [3.4728] _cell_length_c [3.4728] _cell_...

2.642

0.871

0.5184

0.4189

MP

Rb5In(MoO4)4

data_[Rb10In2Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [11.6548] _cell_length_b [8....

3.613

0.0

0.5929

0.0

MP

Y2Mg3(GeO4)3

data_[Y16Mg24Ge24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [12.4173] _cell_length_b...

3.879

0.023

0.6102

0.0295

MP

Mn5(FeO3)4

data_[Mn10Fe8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.1113] _cell_length_b [6.1266] _cell_length_c [13.6817] _cel...

0.323

0.072

0.1524

0.0722

MP

Hg2ClO

data_[Hg16Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 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 [12.3095] _cell_length_b [6.1063] _cell_length_c [9.7521] _ce...

1.586

0.014

0.4052

0.0199

MP

V6O7F5

data_[V6O7F5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.7533] _cell_length_b [6.0720] _cell_length_c [6.1454] _cell_angle...

1.315

0.083

0.367

0.0805

MP

B20H26O

data_[B80H104O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [25.6949] _cell_length_b [7.6922] _cell_length_c [10.3976] _cel...

1.09

0.204

0.3308

0.1583

MP

LiV4O5F7

data_[Li2V8O10F14] 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 [P1] _cell_length_a [5.3784] _cell_length_b [9.0547] _...

1.195

0.058

0.3483

0.061

MP

UF5

data_[U2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.8804] _cell_length_b [6.8804] _cell_length_c [4.5350] _cell_angle_alpha [90.0000] _cell_angl...

0.387

0.0

0.1727

0.0

MP

K3ZnPCO7

data_[K6Zn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 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 [...

4.061

0.031

0.6215

0.0374

MP

NaNbO3

data_[Na16Nb16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.9073] _cell_length_b [7.9527] _cell_length_c [15.9402] _...

1.632

0.033

0.4112

0.0392

MP

Mg30NbVO32

data_[Mg30Nb1V1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5517] _cell_length_b [8.5...

0.118

0.055

0.073

0.0585

MP

Zn3P2Pb3WO14

data_[Zn3P2Pb3W1O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [...

3.526

0.0

0.587

0.0

MP

KBi(PSe3)2

data_[K4Bi4P8Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 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 [12.6469] _cell_length_b [7.7...

1.614

0.0

0.4089

0.0

MP

Cs2KTbCl6

data_[Cs8K4Tb4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.3750] _cell_length_b [11...

5.088

0.0

0.6775

0.0

MP

FeAg(SeO3)2

data_[Fe4Ag4Se8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.1639] _cell_length_b [5...

1.179

0.0

0.3457

0.0

MP

Mg30MnSnO32

data_[Mg30Mn1Sn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6146] _cell_length_b [8...

1.854

0.055

0.4385

0.0585

MP

Na4Al3Si3BrO12

data_[Na8Al6Si6Br2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-43n] _cell_lengt...

4.793

0.0

0.6626

0.0

MP

KRb2BiF6

data_[K4Rb8Bi4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Bi 2.0200 1.6000 1.0350 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.6294] _cell_length_b [9.629...

4.797

0.006

0.6628

0.0101

MP

Sb2S2O9

data_[Sb8S8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [6.6833] _cell_length_b [6.6833] _cell_length_c [17.3857] _...

4.116

0.0

0.6248

0.0

MP

CuN3

data_[Cu8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [9.3180] _cell_length_b [9.3180] _cell_length_c [5.8001] _cell_angle_alpha [90.0000] _cel...

1.628

0.294

0.4107

0.2058

MP

CaSmCrO4

data_[Ca4Sm4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sm 1.1700 1.8500 1.2290 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [5.4221] _cell_length_b [11...

2.496

0.054

0.5052

0.0577

MP

Ca2HgPd

data_[Ca4Hg2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8263] _cell_length_b [12.3398] _cell_length_c [17.4061] ...

0.18

1.464

0.1001

0.5606

MP

Zn3Te2P2(PbO7)2

data_[Zn6Te4P4Pb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length...

2.994

0.0

0.5478

0.0

MP

Sr4Sn2Se9

data_[Sr16Sn8Se36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [12.1211] _cell_length_b [16.3604] _cell_length_c [8.7534]...

0.979

0.006

0.311

0.0101

MP

Ce4ThO10

data_[Ce16Th4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [31.8165] _cell_length_b [3.8911] _cell_length_c [6.7358] _c...

1.882

0.016

0.4418

0.0221

MP

NaFe(GeO3)2

data_[Na4Fe4Ge8O24] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1955] _cell_length_b [9.0...

1.585

0.0

0.4051

0.0

MP

In4P6Pb2O23

data_[In4P6Pb2O23] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.6749] _cell_length_b [8.3835] ...

3.711

0.006

0.5994

0.0101

MP

LiBiB2O5

data_[Li8Bi8B16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [C2/c] _cell_length_a [10.4347] _cell_length_b [10.8...

1.894

0.102

0.4432

0.0943

MP

Ba2SrCa3Mg2(SiO4)4

data_[Ba2Sr1Ca3Mg2Si4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...

4.895

0.017

0.6678

0.0232

MP

Cs2ZnCl4

data_[Cs8Zn4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9870] _cell_length_b [7.4334] _cell_length_c [13.3991] _...

4.811

0.0

0.6635

0.0

MP

Ca(H8O5)2

data_[Ca4H64O40] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.8366] _cell_length_b [8.7855] _cell_length_c [10.8923] _cell_...

3.904

0.004

0.6118

0.0073

MP

LiCu5(PO4)2

data_[Li1Cu5P2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1518] _cell_length_b [5.5517] _...

0.485

0.112

0.201

0.1012

MP

H2RuN2Cl5O

data_[H8Ru4N8Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...

0.456

0.88

0.1929

0.4214

MP

FeHC2O3

data_[Fe4H4C8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [3.3931] _cell_length_b [10.196...

2.376

0.186

0.4939

0.1479

MP

Na3Th10BeF45

data_[Na12Th40Be4F180] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Th 1.3000 1.8000 1.0800 Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/ncm] _cell_length_a [11.9513] _cell_length...

6.198

0.004

0.7273

0.0073

MP

KNa3Mg4F12

data_[K1Na3Mg4F12] 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 Mg 1.3100 1.5000 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.5463] _cell_length_b [7.8951] ...

6.57

0.015

0.7421

0.021

MP

Li7NbS6

data_[Li28Nb4S24] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.1819] _cell_length_b [10.1819] _cell_length_c [10.1819]...

2.363

0.067

0.4926

0.0682

MP

AlTeH6C2Cl3

data_[Al4Te4H24C8Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_...

3.973

0.065

0.6161

0.0667

MP

Na3U6FeF30

data_[Na6U12Fe2F60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [9.8812] _cell_length_b [9.88...

0.218

0.086

0.1152

0.0827

MP

Sr2Sc2B4O11

data_[Sr2Sc2B4O11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sc 1.3600 1.6000 0.8850 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 [5.1290] _cell_length_b [6.3513]...

4.347

0.006

0.6383

0.0101

MP

Re4Si7

data_[Re16Si28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [23.4080] _cell_length_b [3.1419] _cell_length_c [8.3723] _cell_angle_alpha [90.0000] _cell_...

0.007

0.091

0.0079

0.0864

MP

NdCuSe2

data_[Nd4Cu4Se8] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7450] _cell_length_b [7.5093] _cell_length_c [7.2199] _...

0.753

0.0

0.266

0.0

MP

Li4Nb5Cr3O16

data_[Li8Nb10Cr6O32] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.7071] _cell_length_b [6.06...

0.045

0.104

0.0347

0.0957

MP

Li3B11O18

data_[Li12B44O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [17.9976] _cell_length_b [7.9523] _cell_length_c [9.7719] _...

5.679

0.0

0.7052

0.0

MP

KFeBr4

data_[K4Fe4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [7.8430] _cell_length_b [10.4705] _cell_length_c [10.5261] _c...

0.953

0.0

0.3062

0.0

MP

BaCa(CO3)2

data_[Ba2Ca2C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 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 [6.6342] _cell_length_b [5.30...

4.703

0.006

0.6578

0.0101

MP

LiCaPrTeO6

data_[Li2Ca2Pr2Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...

3.453

0.019

0.5819

0.0254

MP

Li6Mn(BO3)3

data_[Li24Mn4B12O36] 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 [P2_1/c] _cell_length_a [6.9897] _cell_length_b [16...

1.258

0.064

0.3582

0.0659

MP

Mg(B3O8)2

data_[Mg4B24O64] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.5821] _cell_length_b [10.3405] _cell_length_c [10.5898] ...

0.009

0.682

0.0097

0.3609

MP

CsH3O2

data_[Cs2H6O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.4266] _cell_length_b [4.4362] _cell_length_c [8.1302] _cell_a...

4.095

0.0

0.6235

0.0

MP

Na2MgPO4F

data_[Na16Mg8P8O32F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 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 [Pbcn] _cell_length_a ...

4.736

0.0

0.6596

0.0

MP

CeZr11O24

data_[Ce1Zr11O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.9009] _cell_length_b [7.4826] _cell_length_c [9.7434] _cell...

1.957

0.017

0.4504

0.0232

MP

Lu2Te5O13

data_[Lu4Te10O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8979] _cell_length_b [8.7448] _cell_length_c [10.7026] _ce...

3.066

0.0

0.5534

0.0

MP

Ni2Sb2O7

data_[Ni16Sb16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.1944] _cell_length_b [10.1944] _cell_length_c [10.1944...

1.025

0.314

0.3194

0.2156

MP

B10H13

data_[B160H208] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4_1cd] _cell_length_a [12.1300] _cell_length_b [12.1300] _cell_length_c [23.7739] _cell_angle_alpha [90.0000] _c...

3.345

0.006

0.5743

0.0101

MP

Li2MnV(P2O7)2

data_[Li4Mn2V2P8O28] 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 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] _cell_length_a [...

0.446

0.013

0.1901

0.0188

MP

KCaBi

data_[K2Ca2Bi2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [5.4280] _cell_length_b [5.4280] _cell_length_c [8.5192] _ce...

0.827

0.0

0.2815

0.0