Split (3)

train · 1.19k rows

Database stringclasses 1 value	Material ID stringlengths 7 7	Reduced Formula stringlengths 3 16	CIF stringlengths 842 1.72k	Condition Vector stringlengths 195 239
COD	2008877	C4CdN4S4Zn	data_[Zn2Cd2C8S8N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [11...	[0.458,0.742,0.715,0.251,0.4,0.435,0.836,0.799,0.621,0.528,0.836,0.494,0.768,0.665,0.242,0.177,0.794,0.968,0.706,0.661,1.0,0.703,0.626,0.615,0.611,0.581,0.567,0.534,0.529,0.484,0.482,0.369,0.363,0.304,0.293,0.289,0.289,0.261,0.256,0.222]
COD	2241300	FeH4N2O4P	data_[Fe4P4H16N8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [Pccn] _cell_length_a [6...	[0.649,0.346,0.632,0.391,0.232,0.722,0.553,0.865,0.671,0.41,0.8,0.774,0.615,0.752,0.901,0.306,0.455,0.826,0.623,0.703,1.0,0.963,0.938,0.867,0.83,0.701,0.662,0.658,0.648,0.618,0.605,0.578,0.507,0.506,0.467,0.456,0.386,0.369,0.368,0.354]
COD	2016416	H4LiN3O6	data_[Li4H16N12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.5740] _cell_length_b [7.679...	[0.311,0.877,0.719,0.39,0.311,0.905,0.642,0.289,0.823,0.679,0.411,0.664,0.347,0.8,0.524,0.946,0.36,0.497,0.642,0.29,1.0,0.277,0.269,0.195,0.188,0.151,0.106,0.102,0.096,0.095,0.083,0.071,0.062,0.056,0.052,0.051,0.04,0.04,0.036,0.035]
COD	2107293	CsF7Y2	data_[Cs8Y16F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Y 1.2200 1.8000 1.0400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [13.6028] _cell_length_b [12.3072] _cell_length_c [7.8426] _ce...	[0.819,0.49,0.505,0.67,0.282,0.422,0.472,0.823,0.35,0.521,0.302,0.216,0.388,0.953,0.145,0.578,0.743,0.578,0.46,0.605,1.0,0.606,0.449,0.439,0.321,0.314,0.308,0.295,0.294,0.289,0.283,0.278,0.249,0.224,0.215,0.213,0.189,0.178,0.171,0.168]
COD	2241873	H2O14Sr5Te4	data_[Sr10Te8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [16.0785] _cell_length_b [5.7927] _cell_length_c [8.9262] _cel...	[0.633,0.573,0.546,0.658,0.368,0.501,0.258,0.35,0.258,0.638,0.561,0.81,0.802,0.817,0.867,0.743,0.882,0.527,0.527,0.731,1.0,0.99,0.986,0.98,0.816,0.809,0.724,0.716,0.715,0.612,0.605,0.605,0.603,0.6,0.596,0.557,0.557,0.46,0.448,0.444]
COD	4326806	C12O6Sc	data_[Sc16C192O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.7346] _cell_length_b [20.7331] _cell_length_c [34.3527] _...	[0.222,0.23,0.451,0.467,0.287,0.265,0.472,0.659,0.781,0.61,0.764,0.543,0.514,0.743,0.479,0.474,0.372,0.188,0.771,0.977,1.0,0.832,0.722,0.506,0.283,0.257,0.23,0.218,0.193,0.181,0.178,0.177,0.177,0.17,0.169,0.163,0.158,0.152,0.149,0.141]
COD	1564220	BaBr2F8	data_[Ba4Br8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Br 2.9600 1.1500 0.8825 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [9.5823] _cell_length_b [9.5823] _cell_length_c [8.0380] _cell...	[0.535,0.327,0.836,0.334,0.828,0.998,0.588,0.598,0.512,0.535,0.664,0.836,0.836,0.949,0.261,0.542,0.542,0.578,0.578,0.828,1.0,0.993,0.976,0.881,0.867,0.85,0.725,0.701,0.701,0.7,0.652,0.613,0.606,0.538,0.521,0.515,0.501,0.477,0.415,0.411]
COD	2200819	H2KLiO5W	data_[K8Li8H16W8O40] 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 H 2.2000 0.2500 0.0000 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7...	[0.308,0.635,0.495,0.613,0.38,0.854,0.519,0.416,0.381,0.357,0.282,0.632,0.272,0.442,0.839,0.54,0.184,0.759,0.618,0.873,1.0,0.811,0.745,0.715,0.705,0.67,0.66,0.646,0.639,0.633,0.63,0.621,0.621,0.612,0.606,0.594,0.593,0.592,0.581,0.581]
COD	2108546	F7H8N2Ta	data_[Ta2H10N4F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [5.8613] _cell_length_b [5.861...	[0.485,0.238,0.186,0.192,0.705,0.303,0.523,0.626,0.506,0.376,0.62,0.637,0.474,0.546,0.392,0.477,0.328,0.339,0.581,0.63,1.0,0.893,0.831,0.809,0.621,0.553,0.547,0.488,0.471,0.437,0.437,0.406,0.403,0.402,0.392,0.39,0.388,0.387,0.374,0.362]
COD	2243892	H12LiNa3O14S2	data_[Na18Li6H72S12O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 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 [R3c] _cell_length_a...	[0.633,0.43,0.883,0.813,0.814,0.699,0.725,0.843,0.674,0.362,0.453,0.464,0.423,0.739,0.946,0.662,0.799,0.922,0.949,0.904,1.0,0.959,0.797,0.787,0.511,0.491,0.463,0.436,0.433,0.306,0.285,0.273,0.201,0.199,0.185,0.166,0.159,0.159,0.108,0.103]
COD	2300449	CaF2	data_[Ca4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.4632] _cell_length_b [5.4632] _cell_length_c [5.4632] _cell_angle_alpha [90.0000] _cell_an...	[0.763,0.843,0.314,0.65,0.65,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.466,0.284,0.007,0.001,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100]
COD	2300713	C4CoSc3	data_[Sc6Co2C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.3830] _cell_length_b [4.3700] _cell_length_c [11.9820] _cel...	[0.628,0.639,0.49,0.869,0.995,0.673,0.688,0.85,0.331,0.642,0.7,0.337,0.869,0.814,0.795,0.709,0.386,0.408,-100,-100,1.0,0.829,0.73,0.455,0.354,0.12,0.115,0.092,0.071,0.07,0.045,0.041,0.036,0.031,0.025,0.018,0.009,0.001,-100,-100]
COD	2011298	B4Ga3HO14Sr3	data_[Sr6Ga6B8H2O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 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 [P2_1/m] _cell_length_a...	[0.429,0.302,0.512,0.38,0.723,0.751,0.456,0.711,0.722,0.429,0.846,0.363,0.358,0.622,0.945,0.83,0.842,0.961,0.522,0.919,1.0,0.567,0.526,0.52,0.487,0.486,0.467,0.45,0.418,0.418,0.414,0.412,0.405,0.404,0.404,0.393,0.38,0.362,0.359,0.344]
COD	2012854	KMo5O13	data_[K4Mo20O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.6027] _cell_length_b [8.9552] _cell_length_c [16.8440] _cel...	[0.374,0.787,0.887,0.962,0.885,0.445,0.416,0.424,0.477,0.627,0.894,0.992,0.738,0.571,0.729,0.117,0.847,0.647,0.666,0.69,1.0,0.88,0.676,0.542,0.427,0.362,0.341,0.322,0.316,0.312,0.276,0.274,0.254,0.23,0.218,0.216,0.198,0.18,0.177,0.171]
COD	1562973	K3NaO9Os2	data_[K6Na2Os4O18] 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 Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.9998] _cell_length_b [5....	[0.331,0.687,0.587,0.276,0.478,0.435,0.202,0.525,0.951,0.398,0.631,0.542,0.658,0.814,0.337,0.724,0.752,0.769,0.567,0.741,1.0,0.83,0.64,0.564,0.375,0.369,0.362,0.358,0.344,0.336,0.297,0.268,0.267,0.259,0.256,0.249,0.248,0.228,0.225,0.196]
COD	2015932	Cl2O3SeZn2	data_[Zn8Se4Cl8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Se 2.5500 1.1500 1.0133 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 [7.6699] _cell_length_b [10...	[0.573,0.535,0.522,0.443,0.792,0.334,0.956,0.651,0.695,0.13,0.443,0.791,0.328,0.441,0.644,0.566,0.397,0.262,0.509,0.534,1.0,0.901,0.886,0.815,0.794,0.781,0.732,0.675,0.667,0.66,0.632,0.611,0.607,0.573,0.571,0.533,0.511,0.504,0.501,0.5]
COD	2204243	Bi2Cs2Se5Zn	data_[Cs8Zn4Bi8Se20] 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 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [16.3740] _cell_length_b [4...	[0.12,0.241,0.747,0.486,0.579,0.771,0.517,0.474,0.697,0.396,0.593,0.74,0.719,0.401,0.446,0.522,0.548,0.317,0.415,0.49,1.0,0.499,0.358,0.295,0.223,0.185,0.177,0.161,0.158,0.157,0.152,0.148,0.142,0.14,0.137,0.125,0.12,0.106,0.106,0.099]
COD	2014100	As2H2KO8Sc	data_[K4Sc4As8H8O32] 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 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 [C2/c] _cell_length_a [...	[0.394,0.873,0.394,0.314,0.831,0.855,0.393,0.648,0.598,0.758,0.493,0.702,0.97,0.523,0.64,0.85,0.913,0.833,0.899,0.8,1.0,0.79,0.73,0.715,0.668,0.645,0.602,0.523,0.494,0.486,0.474,0.469,0.45,0.447,0.439,0.416,0.41,0.388,0.35,0.339]
COD	3500022	F9FeH2OPb3	data_[Fe2H4Pb6O2F18] 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 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5...	[0.278,0.483,0.587,0.486,0.335,0.568,0.501,0.57,0.565,0.557,0.581,0.573,0.55,0.577,0.695,0.486,0.87,0.443,0.788,0.77,1.0,0.947,0.891,0.879,0.879,0.781,0.776,0.743,0.713,0.67,0.652,0.598,0.591,0.568,0.566,0.442,0.436,0.426,0.423,0.4]
COD	2101944	Cl10Mo2	data_[Mo8Cl40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4682] _cell_length_b [11.7496] _cell_length_c [12.1619] _cell_angle_alpha [90.0000] _c...	[0.576,0.566,0.575,0.703,0.363,0.188,0.364,0.416,0.412,0.411,0.171,0.475,0.368,0.54,0.544,0.541,0.516,0.957,0.171,0.949,1.0,0.951,0.855,0.609,0.603,0.59,0.549,0.472,0.438,0.39,0.389,0.366,0.313,0.308,0.292,0.276,0.248,0.237,0.235,0.233]
COD	2242245	CrO7Pb2Te	data_[Cr4Te4Pb8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Te 2.1000 1.4000 1.2933 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_a [7.4736] _cell_length_b [10...	[0.309,0.352,0.516,0.556,0.659,0.367,0.359,0.812,0.522,0.306,0.558,0.284,0.285,0.342,0.587,0.541,0.415,0.683,0.478,0.615,1.0,0.787,0.741,0.73,0.61,0.584,0.579,0.549,0.549,0.528,0.519,0.492,0.472,0.465,0.454,0.442,0.422,0.407,0.387,0.374]
COD	1560919	GdO14P5	data_[Gd4P20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.7080] _cell_length_b [8.9590] _cell_length_c [13.0000] _c...	[0.273,0.273,0.463,0.342,0.567,0.567,0.226,0.46,0.52,0.52,0.669,0.669,0.477,0.477,0.669,0.629,0.669,0.699,0.906,0.906,1.0,0.967,0.78,0.774,0.748,0.718,0.707,0.636,0.632,0.618,0.555,0.555,0.551,0.544,0.531,0.519,0.514,0.487,0.476,0.473]
COD	2215287	InSb9Sr11	data_[Sr44In4Sb36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Iba2] _cell_length_a [12.3885] _cell_length_b [13.1003] _cell_length_c [17.4966...	[0.581,0.581,0.331,0.35,0.576,0.502,0.277,0.604,0.458,0.624,0.48,0.852,0.96,0.563,0.747,0.869,0.748,0.581,0.373,0.846,1.0,0.952,0.677,0.563,0.549,0.437,0.436,0.436,0.406,0.395,0.356,0.354,0.271,0.269,0.249,0.247,0.246,0.245,0.241,0.241]
COD	2018256	HNO11RbTe4	data_[Rb8Te32N8O88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Te 2.1000 1.4000 1.2933 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [24.0659] _cell_length_b [6.47...	[0.824,0.844,0.224,0.438,0.314,0.673,0.309,0.33,0.847,0.468,0.418,0.531,0.641,0.969,0.307,0.92,0.567,0.633,0.715,0.706,1.0,0.836,0.77,0.728,0.652,0.515,0.511,0.419,0.355,0.347,0.336,0.305,0.296,0.283,0.28,0.271,0.261,0.258,0.255,0.246]
COD	1560913	GdO14P5	data_[Gd4P20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [12.8600] _cell_length_b [8.7820] _cell_length_c [8.9000] _cel...	[0.317,0.222,0.477,0.752,0.868,0.581,0.99,0.27,0.747,0.22,0.484,0.341,0.619,0.987,0.572,0.748,0.996,0.973,0.581,0.597,1.0,0.875,0.661,0.61,0.569,0.513,0.465,0.406,0.377,0.366,0.346,0.332,0.317,0.312,0.311,0.304,0.289,0.281,0.278,0.274]
COD	2241524	NiO12Rb2Si5	data_[Rb16Si40Ni8O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [13.4420] _cell_length_b [1...	[0.126,0.126,0.146,0.146,0.146,0.146,0.146,0.146,0.163,0.164,0.163,0.163,0.164,0.163,0.179,0.179,0.179,0.179,0.179,0.179,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0]
COD	2109022	As3ClO12Pb5	data_[As12Pb20Cl4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.2398] _cell_length_b ...	[0.222,0.596,0.428,0.401,0.738,0.348,0.259,0.888,0.694,0.832,0.555,0.49,0.664,0.836,0.463,0.416,0.779,0.452,0.723,0.643,1.0,0.615,0.57,0.567,0.564,0.555,0.534,0.448,0.447,0.438,0.436,0.429,0.38,0.366,0.366,0.365,0.365,0.361,0.36,0.343]
COD	2016461	FFeO3Te	data_[Fe4Te4O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.0667] _cell_length_b [5.05...	[0.296,0.311,0.573,0.569,0.573,0.402,0.65,0.311,0.658,0.394,0.748,0.296,0.745,0.397,0.615,0.538,0.835,0.669,0.615,0.857,1.0,0.945,0.844,0.812,0.763,0.735,0.721,0.662,0.637,0.621,0.573,0.528,0.504,0.501,0.479,0.471,0.466,0.426,0.4,0.392]
COD	2202845	C6K2N6O8	data_[K4C12N12O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.7540] _cell_length_b [9.6390]...	[0.406,0.607,0.216,0.615,0.275,0.568,0.513,0.563,0.403,0.44,0.565,0.415,0.896,0.864,0.678,0.823,0.936,0.814,0.862,0.368,1.0,0.334,0.317,0.253,0.234,0.216,0.214,0.202,0.197,0.186,0.166,0.151,0.143,0.128,0.125,0.118,0.106,0.103,0.1,0.094]
COD	2232993	PSeU	data_[U4P4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9443] _cell_length_b [3.9443] _cell_length_c [16.2836] _cel...	[0.527,0.377,0.738,0.75,0.794,0.494,0.894,0.841,0.31,0.662,0.769,0.518,0.871,0.502,0.835,0.934,0.642,0.242,-100,-100,1.0,0.925,0.82,0.757,0.707,0.596,0.5,0.387,0.223,0.148,0.146,0.109,0.083,0.082,0.047,0.013,0.012,0.008,-100,-100]
COD	2011854	CdO6PtSr3	data_[Sr18Cd6Pt6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.6413] _cell_length_b [9.6...	[0.443,0.956,0.683,0.838,0.838,0.326,0.909,0.64,0.956,0.785,0.56,0.835,0.675,0.683,0.942,0.329,0.64,0.942,0.56,0.934,1.0,0.643,0.456,0.424,0.249,0.248,0.237,0.205,0.176,0.161,0.151,0.103,0.097,0.076,0.071,0.069,0.064,0.018,0.015,0.011]
COD	2220940	FeHo7I12	data_[Ho21Fe3I36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Fe 1.8300 1.4000 0.8525 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [15.2973] _cell_length_b [15.2973] _cell_length_c [10.6252] _...	[0.556,0.817,0.819,0.753,0.712,0.682,0.503,0.56,0.683,0.36,0.721,0.848,0.466,0.637,0.497,0.676,0.794,0.497,0.503,0.903,1.0,0.63,0.619,0.409,0.083,0.073,0.065,0.059,0.057,0.046,0.045,0.043,0.042,0.039,0.038,0.032,0.032,0.031,0.031,0.03]
COD	2203429	C6K2O6	data_[K16C48O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.4260] _cell_length_b [12.0110] _cell_length_c [15.6710] _cel...	[0.649,0.648,0.649,0.861,0.943,0.571,0.545,0.483,0.515,0.483,0.847,0.861,0.977,0.648,0.722,0.346,-100,-100,-100,-100,1.0,0.71,0.684,0.316,0.288,0.163,0.149,0.12,0.075,0.053,0.042,0.038,0.025,0.018,0.001,0.0,-100,-100,-100,-100]
COD	2022900	B3CaH7O9	data_[Ca2B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [6.4786] _cell_length_b [6.6390] _cell_length_c [8.3489] _cell_a...	[0.487,0.392,0.678,0.63,0.342,0.653,0.406,0.4,0.569,0.667,0.462,0.579,0.305,0.508,0.812,0.863,0.809,0.914,0.511,0.574,1.0,0.787,0.71,0.637,0.629,0.53,0.479,0.466,0.454,0.42,0.39,0.379,0.294,0.292,0.266,0.26,0.243,0.243,0.242,0.237]
COD	2208746	BLaO3	data_[La4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8744] _cell_length_b [5.1087] _cell_length_c [8.2581] _cell_...	[0.463,0.703,0.4,0.527,0.338,0.308,0.523,0.568,0.848,0.283,0.39,0.651,0.638,0.948,0.641,0.756,0.877,0.914,0.771,0.678,1.0,0.98,0.975,0.975,0.971,0.966,0.946,0.936,0.931,0.922,0.902,0.873,0.863,0.77,0.765,0.76,0.75,0.745,0.735,0.706]
COD	2019455	AuGaMg	data_[Mg3Ga3Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.3682] _cell_length_b [7.3682] _cell_length_c [3.3738] _c...	[0.472,0.31,0.706,0.431,0.333,0.414,0.926,0.691,0.893,0.717,0.654,0.514,0.869,0.154,0.514,0.268,0.632,0.938,0.949,0.642,1.0,0.794,0.489,0.452,0.443,0.352,0.31,0.289,0.272,0.272,0.251,0.244,0.239,0.22,0.199,0.186,0.183,0.181,0.175,0.164]
COD	2022199	GdHfK2O12P3	data_[K8Gd4.0Hf4P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 Hf 1.3000 1.5500 0.8500 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length...	[0.303,0.303,0.527,0.214,0.36,0.36,0.477,0.477,0.507,0.507,0.692,0.676,0.676,0.692,0.36,0.874,0.874,0.36,0.967,0.874,1.0,0.888,0.833,0.773,0.759,0.758,0.729,0.714,0.64,0.594,0.561,0.56,0.552,0.543,0.537,0.536,0.523,0.515,0.51,0.505]
COD	2108020	HO4RbS	data_[Rb8H8S8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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_a [14.3405] _cell_length_b [4.615...	[0.482,0.357,0.936,0.931,0.716,0.515,0.204,0.73,0.825,0.558,0.629,0.739,0.739,0.437,0.265,0.605,0.49,0.338,0.694,0.689,1.0,0.59,0.588,0.417,0.333,0.307,0.221,0.187,0.167,0.167,0.166,0.164,0.137,0.134,0.131,0.128,0.109,0.098,0.091,0.089]
COD	2017074	AlFO	data_[Al12O12F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.8250] _cell_length_b [8.4080] _cell_length_c [4.6690] _cel...	[0.496,0.487,0.565,0.443,0.578,0.75,0.554,0.337,0.918,0.807,0.777,0.703,0.454,0.54,0.493,0.702,0.67,0.974,0.896,0.577,1.0,0.361,0.344,0.34,0.329,0.292,0.26,0.233,0.221,0.215,0.201,0.193,0.182,0.166,0.164,0.156,0.153,0.143,0.125,0.119]
COD	2237424	Cl4H2K2OSn	data_[K8Sn4H8Cl16O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...	[0.441,0.274,0.415,0.492,0.5,0.543,0.618,0.3,0.375,0.674,0.368,0.437,0.5,0.681,0.677,0.892,0.57,0.68,0.262,0.589,1.0,0.673,0.624,0.408,0.402,0.344,0.343,0.342,0.338,0.323,0.296,0.285,0.264,0.251,0.236,0.218,0.217,0.216,0.208,0.191]
COD	2014097	H2LiO2P	data_[Li4P4H8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.3557] _cell_length_b [5.3107] _...	[0.289,0.459,0.504,0.494,0.319,0.759,0.645,0.939,0.158,0.976,0.417,0.678,0.955,0.439,0.89,0.385,0.999,0.747,0.869,0.812,1.0,0.964,0.429,0.389,0.331,0.315,0.309,0.182,0.175,0.169,0.164,0.148,0.13,0.125,0.12,0.118,0.114,0.109,0.104,0.099]
COD	2211386	EuHO5S	data_[Eu4H4S4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 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_a [4.4195] _cell_length_b [12.280...	[0.246,0.767,0.633,0.816,0.461,0.405,0.289,0.773,0.337,0.84,0.782,0.52,0.582,0.435,0.78,0.463,0.921,0.304,0.701,0.815,1.0,0.929,0.621,0.568,0.553,0.545,0.501,0.489,0.481,0.469,0.426,0.419,0.415,0.414,0.407,0.377,0.376,0.347,0.344,0.339]
COD	2213988	Mo4Nd3O14Si	data_[Nd12Si4Mo16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.5348] _cell_length_b [5...	[0.366,0.569,0.34,0.181,0.998,0.495,0.692,0.746,0.26,0.658,0.506,0.769,0.648,0.87,0.404,0.528,0.778,0.946,0.902,0.907,1.0,0.489,0.386,0.37,0.277,0.276,0.237,0.234,0.225,0.188,0.176,0.176,0.171,0.165,0.154,0.13,0.124,0.123,0.121,0.119]
COD	2239658	FeK3Mo4O15	data_[K12Fe4Mo16O60] 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 [C2/m] _cell_length_a [32.8730] _cell_length_b [5.7...	[0.262,0.249,0.509,0.24,0.447,0.352,0.454,0.232,0.465,0.96,0.59,0.426,0.574,0.697,0.794,0.537,0.501,0.393,0.348,0.57,1.0,0.97,0.525,0.51,0.431,0.361,0.266,0.214,0.188,0.186,0.16,0.135,0.132,0.13,0.127,0.122,0.106,0.094,0.088,0.087]
COD	2243690	KMo2O8Yb	data_[K4Yb4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Yb 1.1000 1.7500 1.0840 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [5.0417] _cell_length_b [18.303...	[0.215,0.685,0.256,0.672,0.525,0.395,0.454,0.837,0.936,0.726,0.93,0.43,0.632,0.972,0.617,0.251,0.403,0.809,0.874,0.484,1.0,0.909,0.81,0.802,0.625,0.572,0.562,0.552,0.529,0.524,0.468,0.461,0.421,0.373,0.364,0.33,0.309,0.292,0.292,0.26]
COD	2103602	KN3O4	data_[K4N12O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6010] _cell_length_b [9.1253] _cell_length_c [9.0518] _cell...	[0.47,0.522,0.476,0.216,0.374,0.4,0.257,0.473,0.903,0.54,0.354,0.336,0.374,0.511,0.541,0.416,0.813,0.368,0.744,0.688,1.0,0.702,0.439,0.412,0.373,0.347,0.341,0.302,0.29,0.278,0.26,0.256,0.237,0.213,0.197,0.188,0.184,0.172,0.166,0.16]
COD	2212299	Cl3Nb3Se10	data_[Nb12Se40Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.2070] _cell_length_b [18.9740] _cell_length_c [11.83...	[0.575,0.318,0.51,0.463,0.26,0.968,0.147,0.616,0.522,0.48,0.463,0.343,0.648,0.536,0.147,0.545,0.651,0.103,0.47,0.295,1.0,0.806,0.775,0.715,0.676,0.557,0.548,0.529,0.513,0.489,0.485,0.477,0.458,0.44,0.392,0.392,0.372,0.364,0.362,0.359]
COD	2015819	Mg3Ni2Tb2	data_[Tb4Mg6Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [3.9788] _cell_length_b [21.2030] _cell_length_c [3.6583] _c...	[0.553,0.186,0.891,0.588,0.396,0.375,0.783,0.985,0.586,0.863,0.684,0.093,0.839,0.932,0.934,0.5,0.562,0.28,0.713,0.629,1.0,0.917,0.595,0.541,0.281,0.231,0.23,0.223,0.22,0.194,0.157,0.147,0.14,0.135,0.107,0.085,0.08,0.061,0.061,0.055]
COD	2207381	CdH4O4P2	data_[Cd4P8H16O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [15.1560] _cell_length_b [5.4692...	[0.267,0.579,0.553,0.388,0.816,0.702,0.998,0.63,0.688,0.547,0.63,0.571,0.442,0.765,0.84,0.865,0.894,0.364,0.919,0.806,1.0,0.815,0.601,0.505,0.461,0.373,0.352,0.347,0.345,0.335,0.322,0.317,0.295,0.293,0.288,0.253,0.245,0.226,0.226,0.224]
COD	2104054	Nd2S5Sn	data_[Nd4Sn2S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.7721] _cell_length_b [11.2180] _cell_length_c [3.9272] _ce...	[0.811,0.464,0.513,0.354,0.587,0.527,0.836,0.499,0.538,0.722,0.546,0.853,0.917,0.269,0.473,0.583,0.859,0.59,0.909,0.645,1.0,0.985,0.842,0.746,0.726,0.695,0.671,0.584,0.55,0.546,0.483,0.474,0.47,0.389,0.371,0.371,0.354,0.351,0.323,0.319]
COD	2011299	Rb3Te11Ti3	data_[Rb12Ti12Te44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ti 1.5400 1.4000 0.8517 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.5757] _cell_length_b [15.0449] _cell_length_c [17.7...	[0.318,0.417,0.343,0.849,0.309,0.573,0.589,0.878,0.351,0.624,0.586,0.348,0.577,0.529,0.743,0.464,0.429,0.355,0.512,0.385,1.0,0.696,0.65,0.606,0.551,0.518,0.509,0.456,0.452,0.443,0.44,0.435,0.434,0.418,0.39,0.385,0.383,0.377,0.374,0.363]
COD	2228075	AgO4PZn	data_[Zn4Ag4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.1664] _cell_length_b [10.4...	[0.386,0.553,0.383,0.552,0.189,0.331,0.382,0.432,0.385,0.688,0.689,0.642,0.773,0.588,0.513,0.719,0.465,0.925,0.514,0.302,1.0,0.846,0.721,0.501,0.489,0.484,0.471,0.451,0.335,0.303,0.301,0.298,0.296,0.293,0.263,0.255,0.249,0.241,0.232,0.23]
COD	2209179	CF2NaO3Yb	data_[Na4Yb4C4O12F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Yb 1.1000 1.7500 1.0840 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...	[0.287,0.59,0.317,0.496,0.552,0.357,0.936,0.191,0.648,0.484,0.517,0.58,0.682,0.581,0.491,0.676,0.747,0.841,0.762,0.686,1.0,0.756,0.529,0.523,0.513,0.472,0.434,0.37,0.346,0.343,0.324,0.322,0.317,0.304,0.304,0.293,0.279,0.248,0.247,0.245]
COD	2109070	Ca5ClO12V3	data_[Ca10V6Cl2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.1490] _cell_length_b [10...	[0.456,0.339,0.224,0.603,0.809,0.352,0.989,0.495,0.705,0.78,0.737,0.509,0.891,0.332,0.611,0.716,0.393,0.436,0.332,0.509,1.0,0.706,0.685,0.474,0.457,0.452,0.425,0.424,0.42,0.418,0.409,0.389,0.377,0.37,0.366,0.362,0.361,0.348,0.345,0.315]
COD	2228234	Cl5K2La	data_[K8La4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.7402] _cell_length_b [8.8635] _cell_length_c [8.0174] _ce...	[0.554,0.359,0.782,0.369,0.688,0.509,0.94,0.802,0.484,0.571,0.258,0.823,0.412,0.588,0.381,0.345,0.299,0.502,0.679,0.334,1.0,0.593,0.533,0.527,0.485,0.405,0.398,0.384,0.375,0.37,0.34,0.321,0.316,0.315,0.313,0.312,0.29,0.282,0.277,0.265]
COD	2103775	LiO13V6	data_[Li4V24O52] 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 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [21.9550] _cell_length_b [3.6860] _cell_length_c [11.8500] _ce...	[0.192,0.388,0.594,0.819,0.841,0.956,0.656,0.303,0.699,0.419,0.802,0.781,0.922,0.506,0.547,0.652,0.397,0.929,0.588,0.468,1.0,0.808,0.766,0.419,0.361,0.359,0.353,0.33,0.308,0.307,0.294,0.273,0.264,0.233,0.211,0.189,0.189,0.176,0.17,0.17]
COD	2104454	BaF4Mg	data_[Ba4Mg4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.1189] _cell_length_b [14.4761] _cell_length_c [5.8130] _...	[0.97,0.655,0.902,0.509,0.655,0.913,0.849,0.727,0.913,0.849,0.584,0.952,0.969,0.952,0.545,0.369,0.36,0.545,0.369,0.457,1.0,0.919,0.897,0.845,0.843,0.815,0.815,0.805,0.802,0.802,0.797,0.777,0.776,0.77,0.749,0.727,0.727,0.724,0.717,0.716]
COD	1560982	NdO14P5	data_[Nd4P20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [13.0280] _cell_length_b [8.7780] _cell_length_c [9.0090] _cel...	[0.272,0.414,0.578,0.883,0.71,0.741,0.991,0.267,0.218,0.483,0.337,0.568,0.535,0.747,0.398,0.838,0.254,0.262,0.589,0.967,1.0,0.55,0.315,0.306,0.294,0.279,0.264,0.249,0.245,0.236,0.235,0.19,0.189,0.178,0.164,0.164,0.159,0.158,0.141,0.134]
COD	2220098	Ag2O7P2Pd	data_[Ag8P8Pd4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.7390] _cell_length_b [5.717...	[0.559,0.562,0.791,0.359,0.893,0.611,0.862,0.376,0.97,0.601,0.743,0.75,0.774,0.578,0.791,0.445,0.966,0.577,0.817,0.955,1.0,0.738,0.445,0.434,0.419,0.379,0.351,0.348,0.324,0.322,0.296,0.288,0.231,0.212,0.21,0.198,0.192,0.189,0.18,0.177]
COD	2019920	CrMo6Na9O24	data_[Na54Cr6Mo36O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [14.7070] _cell_length_b [...	[0.56,0.487,0.428,0.574,0.574,0.921,0.894,0.513,0.98,0.818,0.691,0.355,0.4,0.963,0.513,0.4,0.887,0.947,0.636,0.204,1.0,0.585,0.496,0.476,0.474,0.462,0.382,0.353,0.344,0.327,0.31,0.302,0.277,0.276,0.266,0.251,0.24,0.236,0.183,0.165]
COD	2243689	ErKMo2O8	data_[K4Er4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [5.0602] _cell_length_b [18.196...	[0.683,0.67,0.217,0.256,0.523,0.834,0.394,0.724,0.453,0.932,0.927,0.428,0.63,0.617,0.969,0.25,0.871,0.404,0.751,0.806,1.0,0.994,0.99,0.929,0.753,0.72,0.677,0.661,0.658,0.651,0.559,0.544,0.509,0.505,0.497,0.43,0.402,0.385,0.347,0.332]
COD	2300712	C4CoSc3	data_[Sc6Co2C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.3830] _cell_length_b [4.3730] _cell_length_c [11.9910] _cel...	[0.628,0.639,0.489,0.869,0.994,0.673,0.687,0.849,0.331,0.642,0.7,0.336,0.868,0.814,0.795,0.709,0.386,0.408,-100,-100,1.0,0.995,0.912,0.519,0.427,0.154,0.141,0.107,0.09,0.086,0.053,0.051,0.041,0.037,0.028,0.02,0.011,0.001,-100,-100]
COD	2013077	C4AgCsN4S4Zn	data_[Cs4Zn4Ag4C16S16N16] 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 Ag 1.9300 1.6000 1.0867 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_grou...	[0.686,0.25,0.448,0.339,0.475,0.48,0.161,0.286,0.689,0.26,0.479,0.428,0.118,0.261,0.209,0.266,0.34,0.525,0.897,0.427,1.0,0.978,0.836,0.733,0.723,0.685,0.604,0.541,0.541,0.531,0.52,0.502,0.499,0.461,0.448,0.423,0.41,0.408,0.394,0.38]
COD	2242624	FeN4	data_[Fe1N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4473] _cell_length_b [3.4688] _cell_length_c [3.5054] _cell_angle_alpha [73.7319] _cell_angl...	[0.651,0.797,0.315,0.5,0.44,0.557,0.647,0.971,0.504,0.966,0.867,0.927,0.93,0.818,0.648,0.949,-100,-100,-100,-100,1.0,0.777,0.768,0.747,0.654,0.42,0.354,0.353,0.335,0.334,0.272,0.189,0.151,0.079,0.058,0.028,-100,-100,-100,-100]
COD	2013398	C5N6O5	data_[C20N24O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.8530] _cell_length_b [8.7910] _cell_length_c [12.2290]...	[0.288,0.32,0.349,0.397,0.42,0.27,0.305,0.332,0.377,0.42,0.251,0.186,0.406,0.362,0.434,0.66,0.664,0.554,0.196,0.453,1.0,0.943,0.7,0.617,0.597,0.564,0.521,0.449,0.394,0.337,0.32,0.287,0.283,0.264,0.263,0.26,0.256,0.254,0.243,0.228]
COD	4111935	Ge2In6O9Pt	data_[In24Ge8Pt4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.0600] _cell_length_b [1...	[0.839,0.712,0.712,0.342,0.931,0.521,0.678,0.342,0.433,0.931,0.678,0.521,0.396,0.737,0.961,0.801,0.169,0.57,0.801,0.862,1.0,0.976,0.639,0.504,0.257,0.161,0.106,0.099,0.076,0.06,0.049,0.036,0.034,0.03,0.019,0.016,0.015,0.015,0.005,0.005]
COD	2016995	Ga2MgSc2	data_[Mg2Sc4Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.1577] _cell_length_b [7.1577] _cell_length_c [3.9166] _...	[0.276,0.402,0.494,0.567,0.567,0.939,0.573,0.573,0.639,0.137,0.68,0.944,0.792,0.998,0.745,0.696,0.309,0.288,0.943,0.585,1.0,0.496,0.325,0.308,0.283,0.206,0.203,0.195,0.189,0.186,0.184,0.182,0.136,0.133,0.113,0.112,0.111,0.105,0.101,0.09]
COD	2243688	HoKMo2O8	data_[K4Ho4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ho 1.2300 1.7500 1.0410 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [5.0770] _cell_length_b [18.161...	[0.217,0.679,0.667,0.255,0.521,0.452,0.393,0.83,0.927,0.72,0.426,0.922,0.627,0.964,0.615,0.249,0.868,0.404,0.801,0.749,1.0,0.916,0.85,0.83,0.665,0.589,0.588,0.587,0.549,0.526,0.492,0.465,0.437,0.413,0.388,0.382,0.326,0.324,0.285,0.274]
COD	2022878	CsI4	data_[Cs4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8420] _cell_length_b [8.7061] _cell_length_c [10.7364] _cell_angle_alpha [90.0000] _cell...	[0.472,0.295,0.389,0.41,0.429,0.438,0.584,0.629,0.97,0.393,0.76,0.699,0.79,0.665,0.742,0.63,0.805,0.773,0.371,0.736,1.0,0.979,0.86,0.762,0.638,0.602,0.592,0.52,0.515,0.487,0.479,0.475,0.433,0.43,0.425,0.415,0.413,0.365,0.347,0.345]
COD	2237421	Cr4H6O15	data_[Cr8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [8.9765] _cell_length_b [7.6431] _cell_length_c [9.3451] _cell_angle_alpha [90.0000] _cell_angl...	[0.391,0.391,0.827,0.241,0.235,0.268,0.274,0.335,0.248,0.335,0.356,0.351,0.688,0.529,0.705,0.705,0.439,0.356,0.447,0.688,1.0,0.798,0.628,0.493,0.467,0.412,0.403,0.372,0.354,0.353,0.309,0.304,0.292,0.286,0.279,0.277,0.269,0.268,0.268,0.262]
COD	2206344	LaMg2	data_[La8Mg16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.8100] _cell_length_b [8.8100] _cell_length_c [8.8100] _cell_angle_alpha [90.0000] _cell...	[0.455,0.986,0.498,0.659,0.938,0.6,0.859,0.829,0.6,0.392,0.829,0.938,0.788,-100,-100,-100,-100,-100,-100,-100,1.0,0.977,0.738,0.612,0.463,0.461,0.322,0.279,0.181,0.137,0.133,0.12,0.0,-100,-100,-100,-100,-100,-100,-100]
COD	2007896	NaNiO9P3	data_[Na8Ni8P24O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Pcca] _cell_length_a [13.7340] _cell_length_b [10.5...	[0.378,0.187,0.973,0.48,0.725,0.264,0.863,0.288,0.542,0.742,0.236,0.705,0.765,0.928,0.812,0.406,0.812,0.541,0.755,0.503,1.0,0.815,0.772,0.727,0.688,0.65,0.507,0.455,0.446,0.445,0.415,0.386,0.384,0.366,0.34,0.333,0.325,0.302,0.293,0.286]
COD	2007532	CoO7P2Zn	data_[Zn4Co4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [P2_1/c] _cell_length_a [6.9810] _cell_length_b [8.33...	[0.334,0.65,0.33,0.633,0.477,0.748,0.329,0.794,0.698,0.634,0.393,0.839,0.775,0.547,0.391,0.631,0.696,0.748,0.466,0.59,1.0,0.838,0.832,0.811,0.737,0.697,0.638,0.61,0.589,0.553,0.549,0.547,0.546,0.525,0.525,0.519,0.481,0.477,0.468,0.458]
COD	2017268	Br6Cr2H18N6	data_[Cr2H18Br6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 H 2.2000 0.2500 0.0000 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9697] _cell_length_b [6.8410]...	[0.368,0.351,0.458,0.512,0.334,0.589,0.589,0.344,0.251,0.339,0.52,0.225,0.345,0.585,0.254,0.609,0.705,0.429,0.422,0.695,1.0,0.883,0.799,0.57,0.548,0.524,0.52,0.507,0.498,0.488,0.475,0.458,0.426,0.425,0.407,0.394,0.371,0.354,0.342,0.33]
COD	2239529	Cl3EuH12O6	data_[Eu2H24Cl6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [7.9290] _cell_length_b [6.532...	[0.529,0.579,0.664,0.462,0.347,0.462,0.347,0.415,0.428,0.638,0.625,0.374,0.811,0.444,0.701,0.528,0.374,0.772,0.999,0.303,1.0,0.684,0.619,0.596,0.587,0.576,0.565,0.548,0.548,0.517,0.494,0.491,0.486,0.481,0.451,0.445,0.429,0.423,0.414,0.408]
COD	2020011	KS2Tb	data_[K3Tb3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0523] _cell_length_b [4.0523] _cell_length_c [21.8850] _cell_...	[0.77,0.791,0.761,0.93,0.874,0.363,0.893,0.516,0.581,0.972,0.725,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.722,0.591,0.385,0.341,0.26,0.215,0.189,0.136,0.125,0.104,-100,-100,-100,-100,-100,-100,-100,-100,-100]
COD	2105138	CCu2O5	data_[Cu8C4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 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 [2.9827] _cell_length_b [9.0153] _cell_length_c [12.3091] _ce...	[0.734,0.734,0.734,0.734,0.862,0.862,0.862,0.233,0.233,0.444,0.444,0.34,0.34,0.937,0.937,0.363,0.784,0.273,0.273,0.784,1.0,0.993,0.988,0.981,0.778,0.769,0.545,0.499,0.469,0.392,0.385,0.373,0.358,0.355,0.349,0.313,0.301,0.296,0.292,0.282]
COD	2232490	Al4Na7O32P9	data_[Na14Al8P18O64] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [14.0540] _cell_length_b [...	[0.281,0.386,0.415,0.415,0.523,0.571,0.929,0.929,0.413,0.413,0.562,0.562,0.605,0.29,0.902,0.902,0.76,0.633,0.633,0.751,1.0,0.42,0.288,0.286,0.283,0.278,0.269,0.265,0.263,0.262,0.26,0.257,0.252,0.23,0.228,0.228,0.218,0.214,0.214,0.203]
COD	2312284	ClH26NaO13	data_[Na4Cl4O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.4030] _cell_length_b [11.8820] _cell_length_c [10.9050] _...	[0.848,0.596,0.762,0.731,0.94,0.967,0.983,0.934,0.755,0.854,0.56,0.421,0.313,0.79,0.931,0.455,0.581,0.99,0.947,0.875,1.0,0.896,0.845,0.826,0.795,0.752,0.74,0.625,0.612,0.599,0.556,0.541,0.529,0.521,0.487,0.486,0.438,0.436,0.367,0.339]
COD	2020008	RbS2Sc	data_[Rb3Sc3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8299] _cell_length_b [3.8299] _cell_length_c [22.6560] _cel...	[0.777,0.844,0.781,0.995,0.839,0.711,0.372,0.545,0.617,0.938,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.702,0.538,0.347,0.193,0.186,0.114,0.065,0.036,0.003,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100]
COD	2223288	Fe5Nd3O12	data_[Nd24Fe40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.6128] _cell_length_b [12.6128] _cell_length_c [12.6128...	[0.971,0.971,0.971,0.971,0.971,0.971,0.971,0.971,0.971,0.65,0.65,0.65,0.65,0.65,0.65,0.604,0.604,0.387,0.387,0.604,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,0.789,0.789,0.789,0.789,0.789,0.789,0.71,0.71,0.71,0.71,0.71]
COD	2242025	H6N2O2Rb2	data_[Rb8H24N8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [Pnma] _cell_length_a [7.3957] _cell_length_b [4.0932] ...	[0.39,0.511,0.303,0.894,0.614,0.891,0.326,0.774,0.514,0.85,0.915,0.517,0.44,0.569,0.808,0.781,0.143,0.41,0.679,0.52,1.0,0.826,0.817,0.708,0.682,0.601,0.559,0.526,0.497,0.481,0.475,0.439,0.411,0.379,0.341,0.33,0.329,0.326,0.319,0.319]
COD	2013395	FH3KO4P	data_[K4P4H12O16F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6...	[0.708,0.775,0.452,0.686,0.631,0.952,0.409,0.451,0.753,0.663,0.828,0.856,0.407,0.86,0.508,0.963,0.986,0.718,0.655,0.923,1.0,0.957,0.944,0.752,0.683,0.624,0.576,0.574,0.573,0.565,0.558,0.555,0.55,0.529,0.519,0.515,0.512,0.506,0.505,0.479]
COD	1560822	GdO14P5	data_[Gd4P20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.7170] _cell_length_b [8.8840] _cell_length_c [12.9120] _c...	[0.27,0.275,0.341,0.272,0.344,0.673,0.572,0.466,0.525,0.668,0.524,0.46,0.476,0.226,0.634,0.473,0.915,0.481,0.675,0.706,1.0,0.696,0.644,0.588,0.573,0.534,0.534,0.5,0.484,0.457,0.414,0.411,0.411,0.4,0.374,0.361,0.352,0.344,0.343,0.343]
COD	2017727	Cs3In3O16P4	data_[Cs12In12P16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.4370] _cell_length_b [10...	[0.663,0.632,0.546,0.625,0.515,0.7,0.325,0.794,0.83,0.675,0.466,0.32,0.726,0.582,0.661,0.469,0.465,0.325,0.591,0.747,1.0,0.765,0.686,0.68,0.591,0.547,0.498,0.489,0.451,0.444,0.428,0.405,0.39,0.387,0.386,0.379,0.368,0.356,0.331,0.299]
COD	2013240	Cl18KNb6Y	data_[K3Y3Nb18Cl54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 Nb 1.6000 1.4500 0.8200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.2527] _cell_length_b [9.2527...	[0.74,0.524,0.914,0.617,0.23,0.743,0.771,0.87,0.724,0.78,0.457,0.703,0.557,0.588,0.352,0.556,0.762,0.826,0.976,0.914,1.0,0.973,0.897,0.34,0.263,0.254,0.217,0.208,0.172,0.164,0.162,0.159,0.153,0.145,0.144,0.137,0.131,0.121,0.115,0.104]
COD	2240484	F2O6S2Xe	data_[S8Xe4O24F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ S 2.5800 1.0000 0.8800 Xe 2.6000 2.16 0.6200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7060] _cell_length_b [13.2370]...	[0.149,0.428,0.379,0.333,0.642,0.708,0.407,0.432,0.784,0.663,0.646,0.707,0.612,0.686,0.425,0.437,0.822,0.927,0.723,0.32,1.0,0.412,0.402,0.336,0.323,0.306,0.302,0.297,0.285,0.284,0.268,0.267,0.242,0.231,0.225,0.214,0.211,0.204,0.202,0.202]
COD	2300698	BBi4ClO7	data_[Bi4B1Cl1O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 B 2.0400 0.8500 0.4100 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.8808] _cell_length_b [3.9277]...	[0.633,0.934,0.392,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,1.0,0.0,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100]
COD	1562003	B5LiNa2O14P2	data_[Na4Li2B10P4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_...	[0.263,0.518,0.842,0.55,0.289,0.708,0.437,0.261,0.289,0.499,0.345,0.72,0.342,0.171,0.571,0.553,0.504,0.254,0.803,0.344,1.0,0.971,0.927,0.573,0.505,0.498,0.43,0.409,0.405,0.367,0.359,0.351,0.326,0.318,0.294,0.293,0.29,0.283,0.271,0.265]
COD	2218321	KO12P4Y	data_[K2Y2P8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 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 [7.2244] _cell_length_b [8.2825] _c...	[0.322,0.315,0.308,0.328,0.564,0.582,0.754,0.473,0.382,0.598,0.315,0.478,0.478,0.431,0.618,0.717,0.365,0.636,0.471,0.301,1.0,0.944,0.775,0.706,0.586,0.584,0.555,0.517,0.495,0.491,0.477,0.468,0.465,0.458,0.451,0.434,0.422,0.418,0.409,0.404]
COD	2014857	GdO8RbW2	data_[Rb4Gd4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Gd 1.2000 1.8000 1.0750 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6953] _cell_length_b [10.50...	[0.519,0.343,0.495,0.832,0.636,0.54,0.715,0.373,0.853,0.533,0.908,0.669,0.878,0.913,0.679,0.878,0.42,0.884,0.42,0.813,1.0,0.934,0.815,0.745,0.729,0.698,0.548,0.476,0.475,0.378,0.353,0.353,0.353,0.341,0.324,0.307,0.289,0.282,0.274,0.272]
COD	2207461	Al5CePt3	data_[Ce4Al20Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [20.6510] _cell_length_b [4.1381] _cell_length_c [7.2842] ...	[0.271,0.191,0.556,0.333,0.762,0.291,0.822,0.592,0.875,0.816,0.49,0.197,0.995,0.933,0.376,0.508,0.772,0.777,0.279,0.548,1.0,0.666,0.56,0.488,0.475,0.32,0.317,0.25,0.233,0.227,0.178,0.152,0.152,0.146,0.141,0.132,0.13,0.122,0.122,0.121]
COD	2205613	CoH16N2O16P4	data_[Co1P4H16N2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 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....	[0.205,0.381,0.308,0.324,0.284,0.415,0.283,0.473,0.578,0.533,0.354,0.6,0.272,0.638,0.875,0.556,0.574,0.526,0.344,0.28,1.0,0.929,0.856,0.84,0.655,0.533,0.507,0.507,0.481,0.481,0.46,0.432,0.419,0.414,0.404,0.396,0.395,0.382,0.376,0.375]
COD	2243618	Cl3MgTl	data_[Mg6Tl6Cl18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [7.0228] _cell_length_b [7.0228] _cell_length_c [17.493...	[0.34,0.578,0.282,0.709,0.369,0.685,0.399,0.496,0.346,0.964,0.623,0.446,0.278,0.788,0.571,0.721,0.702,0.234,0.776,0.678,1.0,0.79,0.502,0.444,0.39,0.38,0.37,0.34,0.256,0.231,0.178,0.175,0.159,0.158,0.157,0.15,0.146,0.134,0.121,0.12]
COD	2202292	Cl3CuH13O18	data_[Cu3H30Cl9O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_221] _cell_length_a [10.1659] _cell_length_b [10...	[0.225,0.236,0.27,0.457,0.392,0.392,0.706,0.427,0.481,0.427,0.334,0.667,0.378,0.334,0.462,0.371,0.487,0.298,0.487,0.7,1.0,0.769,0.754,0.306,0.227,0.22,0.192,0.125,0.125,0.125,0.124,0.12,0.118,0.113,0.111,0.096,0.095,0.092,0.09,0.086]
COD	2218991	LuO9P3	data_[Lu24P72O216] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [20.9106] _cell_length_b [20.9106] _cell_length_c [12.0859] _...	[0.559,0.979,0.692,0.956,0.453,0.457,0.369,0.406,0.696,0.913,0.871,0.428,0.523,0.768,0.394,0.841,0.648,0.781,0.824,0.559,1.0,0.738,0.705,0.697,0.64,0.607,0.592,0.497,0.496,0.496,0.481,0.481,0.467,0.465,0.46,0.458,0.426,0.423,0.398,0.392]
COD	2238573	Mn3O12P3Sr	data_[Sr4Mn12P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [Imma] _cell_length_a [10.2373] _cell_length_b [13....	[0.519,0.689,0.357,0.669,0.345,0.57,0.765,0.758,0.546,0.488,0.519,0.689,0.701,0.669,0.476,0.624,0.689,0.357,0.488,0.227,1.0,0.77,0.613,0.394,0.31,0.254,0.216,0.187,0.178,0.172,0.169,0.164,0.161,0.153,0.147,0.138,0.135,0.13,0.124,0.122]
COD	2007586	CB2ErRh2	data_[Er2B4Rh4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 B 2.0400 0.8500 0.4100 Rh 2.2800 1.3500 0.7450 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M 'P 1' _cell_length_a [3.6848] _cell_length_b [3.6848] ...	[0.745,0.392,0.917,0.808,0.377,0.828,0.428,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.833,0.426,0.213,0.145,0.127,0.068,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100]
COD	2022877	CsI4	data_[Cs4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9340] _cell_length_b [8.7538] _cell_length_c [10.8339] _cell_angle_alpha [90.0000] _cell...	[0.292,0.466,0.405,0.385,0.577,0.434,0.751,0.622,0.388,0.78,0.958,0.691,0.657,0.367,0.734,0.599,0.623,0.795,0.424,0.764,1.0,0.661,0.637,0.595,0.489,0.44,0.424,0.379,0.374,0.37,0.352,0.34,0.337,0.319,0.316,0.292,0.288,0.279,0.273,0.265]
COD	2300635	FFeO3Se	data_[Fe4Se4O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.9560] _cell_length_b [5.20...	[0.281,0.406,0.342,0.532,0.651,0.314,0.716,0.494,0.612,0.716,0.605,0.796,0.435,0.914,0.277,0.385,0.808,0.206,0.687,0.521,1.0,0.818,0.809,0.785,0.765,0.678,0.633,0.588,0.49,0.484,0.479,0.446,0.427,0.421,0.38,0.379,0.374,0.336,0.332,0.329]

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