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	Fe(ClO2)2	data_[Fe2Cl4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2746] _cell_length_b [6.8163] _cell_length_c [8.1962] _ce...	2.292	0.354	0.4857	0.2343
MP	Zn5NiN4	data_[Zn10Ni2N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ni 1.9100 1.3500 0.7400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.9240] _cell_length_b [8.4986] _cell_length_c [5.3590] _cel...	0.269	0.239	0.134	0.1776
MP	CsGa(SO4)2	data_[Cs1Ga1S2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [4.9267] _cell_length_b [4.9267]...	4.001	0.0	0.6178	0.0
MP	HoBiO3	data_[Ho4Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.2086] _cell_length_b [8.4354] _cell_length_c [5.7905] _cel...	2.913	0.036	0.5413	0.042
MP	Ca4Al5CrSi6(HO13)2	data_[Ca4Al5Cr1Si6H2O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...	4.017	0.022	0.6188	0.0285
MP	LiCo(CO3)2	data_[Li4Co4C8O24] 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 [Cc] _cell_length_a [5.4774] _cell_length_b [10.9404]...	0.354	0.147	0.1624	0.1243
MP	CsTi3P5O19	data_[Cs2Ti6P10O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.4478] _cell_length_b [14.3286...	2.791	0.0	0.5312	0.0
MP	V(TeO3)4	data_[V1Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1527] _cell_length_b [5.8418] _cell_length_c [8.1390] _cell_an...	1.094	0.074	0.3315	0.0737
MP	Na2AsH15O11	data_[Na8As4H60O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4909] _cell_length_b [11....	4.276	0.012	0.6342	0.0176
MP	Na2(ReSe2)3	data_[Na16Re24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Re 1.9000 1.3500 0.7125 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.8780] _cell_length_b [10.1328] _cell_length_c [12.224...	1.281	0.0	0.3618	0.0
MP	Ba3Si5O13	data_[Ba12Si20O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [20.5138] _cell_length_b [4.7809] _cell_length_c [14.0380...	4.742	0.003	0.6599	0.0058
MP	GdClO	data_[Gd2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9697] _cell_length_b [3.9697] _cell_length_c [6.7481] _ce...	3.035	0.0	0.551	0.0
MP	K2Th(PSe3)3	data_[K8Th4P12Se36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Th 1.3000 1.8000 1.0800 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.3442] _cell_length_b [10.70...	1.466	0.002	0.3889	0.0042
MP	Ti2Bi2O7	data_[Ti8Bi8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [7.4273] _cell_length_b [10.5207] _cell_length_c [7.4551] _...	2.521	0.013	0.5075	0.0188
MP	LiMgB3(H9N)2	data_[Li2Mg2B6H36N4] 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 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [...	6.51	0.062	0.7398	0.0643
MP	Ba2NO6	data_[Ba2N1O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [6.9317] _cell_length_b [6.9317] _cell_length_c [3.9537] _cell_...	0.252	0.298	0.1279	0.2078
MP	Mg2Cu2P2(H4O5)3	data_[Mg8Cu8P8H48O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a ...	0.286	0.017	0.1399	0.0232
MP	KLi6TaO6	data_[K3Li18Ta3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.3167] _cell_length_b [8.316...	4.385	0.0	0.6404	0.0
MP	Mg5(GeN3)2	data_[Mg20Ge8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.6295] _cell_length_b [5.4183] _cell_length_c [13.2097] _c...	1.738	0.189	0.4246	0.1497
MP	Cs2KRhF6	data_[Cs8K4Rh4F24] 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 Rh 2.2800 1.3500 0.7450 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.2426] _cell_length_b [9.242...	2.101	0.0	0.4661	0.0
MP	MnAsH3O5	data_[Mn8As8H24O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.9299] _cell_length_b [16.20...	2.112	0.0	0.4673	0.0
MP	BiAsO4	data_[Bi4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.1515] _cell_length_b [5.1515] _cell_length_c [11.8648] _...	2.872	0.0	0.5379	0.0
MP	TeO2	data_[Te4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.4744] _cell_length_b [4.0083] _cell_length_c [7.8110] _cell_angle_alpha [90.0000] _cell_a...	2.284	0.165	0.4849	0.1354
MP	SmTaO4	data_[Sm2Ta2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.2352] _cell_length_b [5.6071] _cell_length_c [5.4279] _cell...	3.992	0.0	0.6173	0.0
MP	SnPb4Se5	data_[Sn3Pb12Se15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3927] _cell_length_b [4.3927] _cell_length_c [52.9018] ...	0.27	0.002	0.1343	0.0042
MP	RbEr2Cu3S5	data_[Rb4Er8Cu12S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9331] _cell_length_b [13....	1.491	0.0	0.3924	0.0
MP	Bi2PbF8	data_[Bi4Pb2F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3054] _cell_length_b [4.3054] _cell_length_c [16.6207] _...	3.684	0.196	0.5976	0.1537
MP	Mg2Cu2P2(H4O5)3	data_[Mg8Cu8P8H48O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [2...	0.265	0.016	0.1326	0.0221
MP	Li4Ca3(SiN3)2	data_[Li8Ca6Si4N12] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.8192] _cell_length_b [9.75...	2.29	0.0	0.4855	0.0
MP	Be12Al8Si24O73	data_[Be24Al16Si48O146] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 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 [I222] _cell_length_a [9.2996] _cell_length_b [...	0.489	0.027	0.2021	0.0335
MP	CsNa5(WN3)2	data_[Cs8Na40W16N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4805] _cell_length_b [10...	1.827	0.0	0.4354	0.0
MP	H5BrO2	data_[H20Br4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.2647] _cell_length_b [12.6258] _cell_length_c [6.9774] _ce...	4.096	0.001	0.6236	0.0024
MP	K3Nb2Cu3S8	data_[K12Nb8Cu12S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [23.8547] _cell_length_b [5.5...	1.854	0.0	0.4385	0.0
MP	Sr2TlBr5	data_[Sr8Tl4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tl 1.6200 1.9000 1.3325 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4417] _cell_length_b [8.5101] _cell_length_c [13.5119]...	3.905	0.004	0.6119	0.0073
MP	PaTlO3	data_[Pa1Tl1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pa 1.5000 1.8000 1.0400 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.4056] _cell_length_b [4.4056] _cell_length_c [4.4056] _cel...	2.643	0.0	0.5184	0.0
MP	Na2Sc4Zn2(MoO4)9	data_[Na4Sc8Zn4Mo18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...	3.515	0.002	0.5862	0.0042
MP	Ti2MoW	data_[Ti4Mo2W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.9365] _cell_length_b [11.1611] _cell_length_c [15.4924] _ce...	0.058	4.295	0.0423	0.9163
MP	RbW3Br7	data_[Rb8W24Br56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.9629] _cell_length_b [15.9110] _cell_length_c [10.0361] ...	2.664	0.0	0.5203	0.0
MP	ZnF2	data_[Zn4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.7618] _cell_length_b [5.7827] _cell_length_c [5.2487] _cell_angle_alpha [90.0000] _cell_ang...	3.56	0.002	0.5893	0.0042
MP	Li6Ti2O7	data_[Li12Ti4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2nm] _cell_length_a [10.0888] _cell_length_b [10.0888] _cell_length_c [2.9632]...	2.539	0.079	0.5091	0.0775
MP	RbGeI3	data_[Rb4Ge4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.5991] _cell_length_b [10.4136] _cell_length_c [17.19...	2.199	0.005	0.4763	0.0088
MP	CrP2H13(NO5)2	data_[Cr2P4H26N4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7....	3.625	0.026	0.5937	0.0325
MP	K2CdAu	data_[K4Cd2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.1406] _cell_length_b [13.6334] _cell_length_c [18.5589] _c...	0.238	0.557	0.1227	0.3173
MP	KTeO4	data_[K8Te8O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8435] _cell_length_b [6.8208] _cell_length_c [17.2092] _ce...	0.626	0.348	0.2371	0.2316
MP	TiFe2Ge	data_[Ti4Fe8Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.7897] _cell_length_b [5.7897] _cell_length_c [5.7897] _c...	0.171	0.0	0.0964	0.0
MP	KAuI3	data_[K4Au4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4636] _cell_length_b [9.7266] _cell_length_c [13.5293] _ce...	0.646	0.0	0.2418	0.0
MP	TmBeNF6	data_[Tm2Be2N2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Be 1.5700 1.0500 0.5900 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.5110] _cell_length_b [5.85...	0.118	0.399	0.073	0.2543
MP	KH2I3O	data_[K2H4I6O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.6907] _cell_length_b [10.1800] _cel...	1.908	0.008	0.4448	0.0128
MP	HgH2SO5	data_[Hg4H8S4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [8.0535] _cell_length_b [9.1350...	1.944	0.016	0.4489	0.0221
MP	KFe(MoO4)2	data_[K1Fe1Mo2O8] 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 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 [5.7766] _cell_length_b [5.7766...	2.412	0.0	0.4973	0.0
MP	KLi3GeO4	data_[K4Li12Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9298] _cell_length_b [7.5779...	4.053	0.0	0.621	0.0
MP	Na3Mn2P2(CO7)2	data_[Na6Mn4P4C4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8...	0.759	0.005	0.2673	0.0088
MP	Cs3Ta2S11	data_[Cs12Ta8S44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.3268] _cell_length_b [8.3441] _cell_length_c [20.0822]...	1.723	0.0	0.4227	0.0
MP	Mg2Si2O5	data_[Mg2Si2O5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6542] _cell_length_b [3.6542] _cell_length_c [6.1249] _ce...	1.653	0.593	0.4139	0.3304
MP	Re4Ge7	data_[Re16Ge28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-4c2] _cell_length_a [6.0233] _cell_length_b [6.0233] _cell_length_c [19.1812] _cell_angle_alpha [90.0000] _ce...	0.699	0.04	0.2541	0.0456
MP	Li2CrFeO4	data_[Li2Cr1Fe1O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.1540] _cell_length_b [2.974...	1.813	0.007	0.4337	0.0115
MP	NaNd(GaS2)4	data_[Na16Nd16Ga64S128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [12.2717] _cell_length_b ...	2.17	0.0	0.4733	0.0
MP	Tm2Be2SiO7	data_[Tm4Be4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.2622] _cell_length_b [7...	5.339	0.0	0.6896	0.0
MP	CsGa3S5	data_[Cs4Ga12S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.9590] _cell_length_b [12.9588] _cell_length_c [7.0661]...	2.923	0.0	0.5421	0.0
MP	Na3BS3	data_[Na12B4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.9093] _cell_length_b [6.6964] _cell_length_c [8.4500] _cel...	2.582	0.0	0.513	0.0
MP	Li2MnPO4F	data_[Li16Mn8P8O32F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a ...	4.015	0.041	0.6187	0.0465
MP	Sr3LaBr9	data_[Sr12La4Br36] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.8107] _cell_length_b [7.2698] _cell_length_c [30.6612] _c...	2.984	0.016	0.547	0.0221
MP	Li9Fe3P8O29	data_[Li18Fe6P16O58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [9.8616] _cell_length_b [9.8...	2.548	0.003	0.51	0.0058
MP	LaF3	data_[La2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.1987] _cell_length_b [5.3325] _cell_length_c [4.6639] _cell_angle_alpha [90.0000] _cell_ang...	5.121	0.12	0.6791	0.1067
MP	InSbSe3	data_[In4Sb4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9937] _cell_length_b [4.0870] _cell_length_c [14.1039] _...	1.102	0.007	0.3328	0.0115
MP	LiMn4(PO4)3	data_[Li2Mn8P6O24] 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 [7.4846] _cell_length_b [7.8044]...	3.075	0.044	0.5541	0.0492
MP	Li4Si3NiO9	data_[Li16Si12Ni4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.3440] _cell_length_b [10.1...	4.051	0.082	0.6209	0.0798
MP	TiCrTc2	data_[Ti2Cr2Tc4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Tc 1.9000 1.3500 0.7417 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.5353] _cell_length_b [10.5601] _cell_length_c [15.0303] _...	0.005	3.851	0.0061	0.8776
MP	Li2FeCoO4	data_[Li2Fe1Co1O4] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.1079] _cell_length_b [2.955...	0.844	0.074	0.285	0.0737
MP	Ba6Gd(ReO6)3	data_[Ba24Gd4Re12O72] 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 Re 1.9000 1.3500 0.7125 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2293] _cell_length_b [1...	1.939	0.0	0.4483	0.0
MP	Al(PbN)3	data_[Al2Pb6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.3361] _cell_length_b [10.3361] _cell_length_c [3.6158] _...	0.244	0.379	0.125	0.2456
MP	CaZnSe2	data_[Ca1Zn1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2862] _cell_length_b [4.2862] _cell_length_c [6.3838] _c...	1.519	0.204	0.3962	0.1583
MP	Cs3Mo5P7O24	data_[Cs6Mo10P14O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [12.5407] _cell_length_b [12....	1.349	0.119	0.3721	0.106
MP	K2MgCl4	data_[K4Mg2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0054] _cell_length_b [5.0054] _cell_length_c [15.7604] _c...	4.765	0.0	0.6611	0.0
MP	Na2AsAuF6	data_[Na8As4Au4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.9216] _cell_length_b [8.9...	0.633	0.4	0.2387	0.2548
MP	Sr2UZnO6	data_[Sr4U2Zn2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 U 1.3800 1.7500 0.9913 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8479] _cell_length_b [5.91...	1.803	0.054	0.4325	0.0577
MP	Cd2As3Br	data_[Cd8As12Br4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.4482] _cell_length_b [9.6513] _cell_length_c [8.1827] _c...	0.774	0.001	0.2705	0.0024
MP	MgTe(ClO)6	data_[Mg3Te3Cl18O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [R-3] _cell_length_a [8.7367] _cell_length_b [8.73...	0.715	0.845	0.2576	0.4114
MP	Ba2NaNb5O15	data_[Ba32Na16Nb80O240] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [17.8905] _cell_length_b ...	2.488	0.013	0.5045	0.0188
MP	Ge(BiTe2)2	data_[Ge3Bi6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3899] _cell_length_b [4.3899] _cell_length_c [41.3379] _...	0.496	0.013	0.204	0.0188
MP	BaSc8Ni2O15	data_[Ba4Sc32Ni8O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [12.0970] _cell_length_b [...	3.854	0.014	0.6086	0.0199
MP	BaSr2I6	data_[Ba2Sr4I12] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7139] _cell_length_b [8.3931] _cell_length_c [15.2896] _...	3.921	0.051	0.6129	0.0552
MP	Ba2V2CuF12	data_[Ba2V2Cu1F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4787] _cell_length_b [7.0253] ...	0.742	0.0	0.2636	0.0
MP	LiMn2(BO3)2	data_[Li2Mn4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.3220] _cell_length_b [5.7929] ...	0.673	0.075	0.2481	0.0745
MP	Li2FeF6	data_[Li4Fe2F12] 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 [C2/m] _cell_length_a [4.9889] _cell_length_b [8.6965] _cell_length_c [4.4856] _cel...	0.31	0.023	0.1481	0.0295
MP	TiP2O7	data_[Ti4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [8.2271] _cell_length_b [8.2271] _cell_length_c [8.2271] _cell_...	2.702	0.019	0.5236	0.0254
MP	Rb(CrS2)2	data_[Rb4Cr8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [8.2919] _cell_length_b [8.2919] _cell_length_c [8.8901] ...	0.009	0.285	0.0097	0.2014
MP	Na3LaMn3(AsO5)3	data_[Na6La2Mn6As6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_leng...	1.461	0.0	0.3882	0.0
MP	KS	data_[K2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.3308] _cell_length_b [12.2795] _cell_length_c [6.0316] _cell_angle_alpha [90.0000] _cell_ang...	0.376	1.013	0.1693	0.4576
MP	Sn7(SI3)2	data_[Sn14S4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.6630] _cell_length_b [4.4660] _cell_length_c [17.9802] _ce...	0.203	0.078	0.1094	0.0768
MP	Li4CaNiO4	data_[Li32Ca8Ni8O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.0079] _cell_length_b [18....	2.787	0.084	0.5308	0.0813
MP	B5(H2N)2	data_[B40H32N16] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.6715] _cell_length_b [6.8961] _cell_length_c [11.7132] _cel...	2.884	0.495	0.5389	0.2938
MP	TaAlO4	data_[Ta4Al4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2691] _cell_length_b [3.8131] _cell_length_c [6.5156] _ce...	4.066	0.011	0.6218	0.0164
MP	CsK2InCl6	data_[Cs4K8In4Cl24] 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 In 1.7800 1.5500 0.9400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5321] _cell_length_b [11...	3.782	0.122	0.604	0.108
MP	CeTa7O19	data_[Ce2Ta14O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6c2] _cell_length_a [6.2943] _cell_length_b [6.2943] _cell_length_c [20.1839] _...	0.077	0.007	0.0527	0.0115
MP	Li5NiOF5	data_[Li10Ni2O2F10] 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 [Pc] _cell_length_a [15.2533] _cell_length_b [3.1708...	2.008	0.074	0.456	0.0737
MP	Li2MnF4	data_[Li4Mn2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [4.7437] _cell_length_b [4.7437] _cell_length_c [8.7597] _cell_...	4.091	0.093	0.6233	0.0879
MP	SrGd2Al2O7	data_[Sr2Gd4Al4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Gd 1.2000 1.8000 1.0750 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7442] _cell_length_b [3....	0.033	0.029	0.0272	0.0354
MP	Na2CoH12(SO7)2	data_[Na4Co2H24S4O28] 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 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	2.127	0.042	0.4688	0.0474
MP	K3Li2Nb5O15	data_[K6Li4Nb10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.8679] _cell_length_b [12...	1.659	0.026	0.4147	0.0325

MP

Fe(ClO2)2

data_[Fe2Cl4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2746] _cell_length_b [6.8163] _cell_length_c [8.1962] _ce...

2.292

0.354

0.4857

0.2343

MP

Zn5NiN4

data_[Zn10Ni2N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ni 1.9100 1.3500 0.7400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.9240] _cell_length_b [8.4986] _cell_length_c [5.3590] _cel...

0.269

0.239

0.134

0.1776

MP

CsGa(SO4)2

data_[Cs1Ga1S2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [4.9267] _cell_length_b [4.9267]...

4.001

0.0

0.6178

0.0

MP

HoBiO3

data_[Ho4Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.2086] _cell_length_b [8.4354] _cell_length_c [5.7905] _cel...

2.913

0.036

0.5413

0.042

MP

Ca4Al5CrSi6(HO13)2

data_[Ca4Al5Cr1Si6H2O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...

4.017

0.022

0.6188

0.0285

MP

LiCo(CO3)2

data_[Li4Co4C8O24] 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 [Cc] _cell_length_a [5.4774] _cell_length_b [10.9404]...

0.354

0.147

0.1624

0.1243

MP

CsTi3P5O19

data_[Cs2Ti6P10O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.4478] _cell_length_b [14.3286...

2.791

0.0

0.5312

0.0

MP

V(TeO3)4

data_[V1Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1527] _cell_length_b [5.8418] _cell_length_c [8.1390] _cell_an...

1.094

0.074

0.3315

0.0737

MP

Na2AsH15O11

data_[Na8As4H60O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4909] _cell_length_b [11....

4.276

0.012

0.6342

0.0176

MP

Na2(ReSe2)3

data_[Na16Re24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Re 1.9000 1.3500 0.7125 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.8780] _cell_length_b [10.1328] _cell_length_c [12.224...

1.281

0.0

0.3618

0.0

MP

Ba3Si5O13

data_[Ba12Si20O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [20.5138] _cell_length_b [4.7809] _cell_length_c [14.0380...

4.742

0.003

0.6599

0.0058

MP

GdClO

data_[Gd2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9697] _cell_length_b [3.9697] _cell_length_c [6.7481] _ce...

3.035

0.0

0.551

0.0

MP

K2Th(PSe3)3

data_[K8Th4P12Se36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Th 1.3000 1.8000 1.0800 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.3442] _cell_length_b [10.70...

1.466

0.002

0.3889

0.0042

MP

Ti2Bi2O7

data_[Ti8Bi8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [7.4273] _cell_length_b [10.5207] _cell_length_c [7.4551] _...

2.521

0.013

0.5075

0.0188

MP

LiMgB3(H9N)2

data_[Li2Mg2B6H36N4] 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 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [...

6.51

0.062

0.7398

0.0643

MP

Ba2NO6

data_[Ba2N1O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [6.9317] _cell_length_b [6.9317] _cell_length_c [3.9537] _cell_...

0.252

0.298

0.1279

0.2078

MP

Mg2Cu2P2(H4O5)3

data_[Mg8Cu8P8H48O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a ...

0.286

0.017

0.1399

0.0232

MP

KLi6TaO6

data_[K3Li18Ta3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.3167] _cell_length_b [8.316...

4.385

0.0

0.6404

0.0

MP

Mg5(GeN3)2

data_[Mg20Ge8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.6295] _cell_length_b [5.4183] _cell_length_c [13.2097] _c...

1.738

0.189

0.4246

0.1497

MP

Cs2KRhF6

data_[Cs8K4Rh4F24] 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 Rh 2.2800 1.3500 0.7450 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.2426] _cell_length_b [9.242...

2.101

0.0

0.4661

0.0

MP

MnAsH3O5

data_[Mn8As8H24O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.9299] _cell_length_b [16.20...

2.112

0.0

0.4673

0.0

MP

BiAsO4

data_[Bi4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.1515] _cell_length_b [5.1515] _cell_length_c [11.8648] _...

2.872

0.0

0.5379

0.0

MP

TeO2

data_[Te4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.4744] _cell_length_b [4.0083] _cell_length_c [7.8110] _cell_angle_alpha [90.0000] _cell_a...

2.284

0.165

0.4849

0.1354

MP

SmTaO4

data_[Sm2Ta2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.2352] _cell_length_b [5.6071] _cell_length_c [5.4279] _cell...

3.992

0.0

0.6173

0.0

MP

SnPb4Se5

data_[Sn3Pb12Se15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3927] _cell_length_b [4.3927] _cell_length_c [52.9018] ...

0.27

0.002

0.1343

0.0042

MP

RbEr2Cu3S5

data_[Rb4Er8Cu12S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9331] _cell_length_b [13....

1.491

0.0

0.3924

0.0

MP

Bi2PbF8

data_[Bi4Pb2F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3054] _cell_length_b [4.3054] _cell_length_c [16.6207] _...

3.684

0.196

0.5976

0.1537

MP

Mg2Cu2P2(H4O5)3

data_[Mg8Cu8P8H48O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [2...

0.265

0.016

0.1326

0.0221

MP

Li4Ca3(SiN3)2

data_[Li8Ca6Si4N12] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.8192] _cell_length_b [9.75...

2.29

0.0

0.4855

0.0

MP

Be12Al8Si24O73

data_[Be24Al16Si48O146] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 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 [I222] _cell_length_a [9.2996] _cell_length_b [...

0.489

0.027

0.2021

0.0335

MP

CsNa5(WN3)2

data_[Cs8Na40W16N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4805] _cell_length_b [10...

1.827

0.0

0.4354

0.0

MP

H5BrO2

data_[H20Br4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.2647] _cell_length_b [12.6258] _cell_length_c [6.9774] _ce...

4.096

0.001

0.6236

0.0024

MP

K3Nb2Cu3S8

data_[K12Nb8Cu12S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [23.8547] _cell_length_b [5.5...

1.854

0.0

0.4385

0.0

MP

Sr2TlBr5

data_[Sr8Tl4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tl 1.6200 1.9000 1.3325 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4417] _cell_length_b [8.5101] _cell_length_c [13.5119]...

3.905

0.004

0.6119

0.0073

MP

PaTlO3

data_[Pa1Tl1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pa 1.5000 1.8000 1.0400 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.4056] _cell_length_b [4.4056] _cell_length_c [4.4056] _cel...

2.643

0.0

0.5184

0.0

MP

Na2Sc4Zn2(MoO4)9

data_[Na4Sc8Zn4Mo18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...

3.515

0.002

0.5862

0.0042

MP

Ti2MoW

data_[Ti4Mo2W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.9365] _cell_length_b [11.1611] _cell_length_c [15.4924] _ce...

0.058

4.295

0.0423

0.9163

MP

RbW3Br7

data_[Rb8W24Br56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.9629] _cell_length_b [15.9110] _cell_length_c [10.0361] ...

2.664

0.0

0.5203

0.0

MP

ZnF2

data_[Zn4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.7618] _cell_length_b [5.7827] _cell_length_c [5.2487] _cell_angle_alpha [90.0000] _cell_ang...

3.56

0.002

0.5893

0.0042

MP

Li6Ti2O7

data_[Li12Ti4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2nm] _cell_length_a [10.0888] _cell_length_b [10.0888] _cell_length_c [2.9632]...

2.539

0.079

0.5091

0.0775

MP

RbGeI3

data_[Rb4Ge4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.5991] _cell_length_b [10.4136] _cell_length_c [17.19...

2.199

0.005

0.4763

0.0088

MP

CrP2H13(NO5)2

data_[Cr2P4H26N4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7....

3.625

0.026

0.5937

0.0325

MP

K2CdAu

data_[K4Cd2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.1406] _cell_length_b [13.6334] _cell_length_c [18.5589] _c...

0.238

0.557

0.1227

0.3173

MP

KTeO4

data_[K8Te8O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8435] _cell_length_b [6.8208] _cell_length_c [17.2092] _ce...

0.626

0.348

0.2371

0.2316

MP

TiFe2Ge

data_[Ti4Fe8Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.7897] _cell_length_b [5.7897] _cell_length_c [5.7897] _c...

0.171

0.0

0.0964

0.0

MP

KAuI3

data_[K4Au4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4636] _cell_length_b [9.7266] _cell_length_c [13.5293] _ce...

0.646

0.0

0.2418

0.0

MP

TmBeNF6

data_[Tm2Be2N2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Be 1.5700 1.0500 0.5900 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.5110] _cell_length_b [5.85...

0.118

0.399

0.073

0.2543

MP

KH2I3O

data_[K2H4I6O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.6907] _cell_length_b [10.1800] _cel...

1.908

0.008

0.4448

0.0128

MP

HgH2SO5

data_[Hg4H8S4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [8.0535] _cell_length_b [9.1350...

1.944

0.016

0.4489

0.0221

MP

KFe(MoO4)2

data_[K1Fe1Mo2O8] 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 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 [5.7766] _cell_length_b [5.7766...

2.412

0.0

0.4973

0.0

MP

KLi3GeO4

data_[K4Li12Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9298] _cell_length_b [7.5779...

4.053

0.0

0.621

0.0

MP

Na3Mn2P2(CO7)2

data_[Na6Mn4P4C4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8...

0.759

0.005

0.2673

0.0088

MP

Cs3Ta2S11

data_[Cs12Ta8S44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.3268] _cell_length_b [8.3441] _cell_length_c [20.0822]...

1.723

0.0

0.4227

0.0

MP

Mg2Si2O5

data_[Mg2Si2O5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6542] _cell_length_b [3.6542] _cell_length_c [6.1249] _ce...

1.653

0.593

0.4139

0.3304

MP

Re4Ge7

data_[Re16Ge28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-4c2] _cell_length_a [6.0233] _cell_length_b [6.0233] _cell_length_c [19.1812] _cell_angle_alpha [90.0000] _ce...

0.699

0.04

0.2541

0.0456

MP

Li2CrFeO4

data_[Li2Cr1Fe1O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.1540] _cell_length_b [2.974...

1.813

0.007

0.4337

0.0115

MP

NaNd(GaS2)4

data_[Na16Nd16Ga64S128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [12.2717] _cell_length_b ...

2.17

0.0

0.4733

0.0

MP

Tm2Be2SiO7

data_[Tm4Be4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.2622] _cell_length_b [7...

5.339

0.0

0.6896

0.0

MP

CsGa3S5

data_[Cs4Ga12S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.9590] _cell_length_b [12.9588] _cell_length_c [7.0661]...

2.923

0.0

0.5421

0.0

MP

Na3BS3

data_[Na12B4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.9093] _cell_length_b [6.6964] _cell_length_c [8.4500] _cel...

2.582

0.0

0.513

0.0

MP

Li2MnPO4F

data_[Li16Mn8P8O32F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a ...

4.015

0.041

0.6187

0.0465

MP

Sr3LaBr9

data_[Sr12La4Br36] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.8107] _cell_length_b [7.2698] _cell_length_c [30.6612] _c...

2.984

0.016

0.547

0.0221

MP

Li9Fe3P8O29

data_[Li18Fe6P16O58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [9.8616] _cell_length_b [9.8...

2.548

0.003

0.51

0.0058

MP

LaF3

data_[La2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.1987] _cell_length_b [5.3325] _cell_length_c [4.6639] _cell_angle_alpha [90.0000] _cell_ang...

5.121

0.12

0.6791

0.1067

MP

InSbSe3

data_[In4Sb4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9937] _cell_length_b [4.0870] _cell_length_c [14.1039] _...

1.102

0.007

0.3328

0.0115

MP

LiMn4(PO4)3

data_[Li2Mn8P6O24] 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 [7.4846] _cell_length_b [7.8044]...

3.075

0.044

0.5541

0.0492

MP

Li4Si3NiO9

data_[Li16Si12Ni4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.3440] _cell_length_b [10.1...

4.051

0.082

0.6209

0.0798

MP

TiCrTc2

data_[Ti2Cr2Tc4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Tc 1.9000 1.3500 0.7417 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.5353] _cell_length_b [10.5601] _cell_length_c [15.0303] _...

0.005

3.851

0.0061

0.8776

MP

Li2FeCoO4

data_[Li2Fe1Co1O4] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.1079] _cell_length_b [2.955...

0.844

0.074

0.285

0.0737

MP

Ba6Gd(ReO6)3

data_[Ba24Gd4Re12O72] 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 Re 1.9000 1.3500 0.7125 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2293] _cell_length_b [1...

1.939

0.0

0.4483

0.0

MP

Al(PbN)3

data_[Al2Pb6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.3361] _cell_length_b [10.3361] _cell_length_c [3.6158] _...

0.244

0.379

0.125

0.2456

MP

CaZnSe2

data_[Ca1Zn1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2862] _cell_length_b [4.2862] _cell_length_c [6.3838] _c...

1.519

0.204

0.3962

0.1583

MP

Cs3Mo5P7O24

data_[Cs6Mo10P14O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [12.5407] _cell_length_b [12....

1.349

0.119

0.3721

0.106

MP

K2MgCl4

data_[K4Mg2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0054] _cell_length_b [5.0054] _cell_length_c [15.7604] _c...

4.765

0.0

0.6611

0.0

MP

Na2AsAuF6

data_[Na8As4Au4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.9216] _cell_length_b [8.9...

0.633

0.4

0.2387

0.2548

MP

Sr2UZnO6

data_[Sr4U2Zn2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 U 1.3800 1.7500 0.9913 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8479] _cell_length_b [5.91...

1.803

0.054

0.4325

0.0577

MP

Cd2As3Br

data_[Cd8As12Br4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.4482] _cell_length_b [9.6513] _cell_length_c [8.1827] _c...

0.774

0.001

0.2705

0.0024

MP

MgTe(ClO)6

data_[Mg3Te3Cl18O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [R-3] _cell_length_a [8.7367] _cell_length_b [8.73...

0.715

0.845

0.2576

0.4114

MP

Ba2NaNb5O15

data_[Ba32Na16Nb80O240] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [17.8905] _cell_length_b ...

2.488

0.013

0.5045

0.0188

MP

Ge(BiTe2)2

data_[Ge3Bi6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3899] _cell_length_b [4.3899] _cell_length_c [41.3379] _...

0.496

0.013

0.204

0.0188

MP

BaSc8Ni2O15

data_[Ba4Sc32Ni8O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [12.0970] _cell_length_b [...

3.854

0.014

0.6086

0.0199

MP

BaSr2I6

data_[Ba2Sr4I12] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7139] _cell_length_b [8.3931] _cell_length_c [15.2896] _...

3.921

0.051

0.6129

0.0552

MP

Ba2V2CuF12

data_[Ba2V2Cu1F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4787] _cell_length_b [7.0253] ...

0.742

0.0

0.2636

0.0

MP

LiMn2(BO3)2

data_[Li2Mn4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.3220] _cell_length_b [5.7929] ...

0.673

0.075

0.2481

0.0745

MP

Li2FeF6

data_[Li4Fe2F12] 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 [C2/m] _cell_length_a [4.9889] _cell_length_b [8.6965] _cell_length_c [4.4856] _cel...

0.31

0.023

0.1481

0.0295

MP

TiP2O7

data_[Ti4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [8.2271] _cell_length_b [8.2271] _cell_length_c [8.2271] _cell_...

2.702

0.019

0.5236

0.0254

MP

Rb(CrS2)2

data_[Rb4Cr8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [8.2919] _cell_length_b [8.2919] _cell_length_c [8.8901] ...

0.009

0.285

0.0097

0.2014

MP

Na3LaMn3(AsO5)3

data_[Na6La2Mn6As6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_leng...

1.461

0.0

0.3882

0.0

MP

KS

data_[K2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.3308] _cell_length_b [12.2795] _cell_length_c [6.0316] _cell_angle_alpha [90.0000] _cell_ang...

0.376

1.013

0.1693

0.4576

MP

Sn7(SI3)2

data_[Sn14S4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.6630] _cell_length_b [4.4660] _cell_length_c [17.9802] _ce...

0.203

0.078

0.1094

0.0768

MP

Li4CaNiO4

data_[Li32Ca8Ni8O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.0079] _cell_length_b [18....

2.787

0.084

0.5308

0.0813

MP

B5(H2N)2

data_[B40H32N16] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.6715] _cell_length_b [6.8961] _cell_length_c [11.7132] _cel...

2.884

0.495

0.5389

0.2938

MP

TaAlO4

data_[Ta4Al4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2691] _cell_length_b [3.8131] _cell_length_c [6.5156] _ce...

4.066

0.011

0.6218

0.0164

MP

CsK2InCl6

data_[Cs4K8In4Cl24] 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 In 1.7800 1.5500 0.9400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5321] _cell_length_b [11...

3.782

0.122

0.604

0.108

MP

CeTa7O19

data_[Ce2Ta14O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6c2] _cell_length_a [6.2943] _cell_length_b [6.2943] _cell_length_c [20.1839] _...

0.077

0.007

0.0527

0.0115

MP

Li5NiOF5

data_[Li10Ni2O2F10] 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 [Pc] _cell_length_a [15.2533] _cell_length_b [3.1708...

2.008

0.074

0.456

0.0737

MP

Li2MnF4

data_[Li4Mn2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [4.7437] _cell_length_b [4.7437] _cell_length_c [8.7597] _cell_...

4.091

0.093

0.6233

0.0879

MP

SrGd2Al2O7

data_[Sr2Gd4Al4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Gd 1.2000 1.8000 1.0750 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7442] _cell_length_b [3....

0.033

0.029

0.0272

0.0354

MP

Na2CoH12(SO7)2

data_[Na4Co2H24S4O28] 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 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

2.127

0.042

0.4688

0.0474

MP

K3Li2Nb5O15

data_[K6Li4Nb10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.8679] _cell_length_b [12...

1.659

0.026

0.4147

0.0325