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train · 27.1k rows

Material ID stringlengths 4 10	Reduced_Formula stringlengths 1 17	CIF stringlengths 763 1.71k	Split stringclasses 1 value	Condition Vector stringlengths 204 239
mp-1221227	Na3MnCoNiO6	data_[Na6Mn2Co2Ni2O12] 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 0.8775 Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	train	[0.456,0.184,0.458,0.401,0.642,0.683,0.371,0.402,0.385,0.642,0.68,0.85,0.588,0.759,0.99,0.387,0.78,0.852,0.795,0.797,1.0,0.941,0.476,0.318,0.272,0.253,0.238,0.159,0.139,0.138,0.136,0.116,0.109,0.077,0.069,0.063,0.058,0.055,0.052,0.052]
mp-974729	Nd(Al2Cu)4	data_[Nd2Al16Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.9013] _cell_length_b [8.9013] _cell_length_c [5.1991] ...	train	[0.446,0.45,0.449,0.315,0.314,0.649,0.387,0.22,0.156,0.503,0.817,0.353,0.972,0.732,0.738,0.819,0.964,0.506,0.652,0.529,1.0,0.634,0.607,0.488,0.45,0.366,0.351,0.295,0.295,0.233,0.22,0.191,0.176,0.142,0.137,0.133,0.13,0.13,0.127,0.124]
mp-1185360	LiMnIr2	data_[Li4Mn4Ir8] 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 0.8775 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8894] _cell_length_b [5.8894] _cell_length_c [5.8894] _c...	train	[0.483,0.337,0.886,0.796,0.599,0.702,0.291,0.572,0.773,0.952,0.952,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.683,0.339,0.251,0.191,0.165,0.036,0.015,0.005,0.004,0.004,-100,-100,-100,-100,-100,-100,-100,-100,-100]
mp-1188861	LiCSN	data_[Li4C4S4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [Pnma] _cell_length_a [12.3431] _cell_length_b [3.8588] ...	train	[0.303,0.327,0.356,0.373,0.304,0.523,0.381,0.656,0.623,0.592,0.521,0.201,0.702,0.159,0.916,0.415,0.615,0.638,0.625,0.464,1.0,0.735,0.711,0.552,0.397,0.221,0.184,0.156,0.15,0.138,0.136,0.121,0.103,0.1,0.095,0.091,0.079,0.076,0.076,0.075]
mp-677272	La2EuS4	data_[La8Eu4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Eu 1.2000 1.8500 1.1985 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.7795] _cell_length_b [8.7795] _cell_length_c [8.7132] _ce...	train	[0.276,0.359,0.277,0.361,0.358,0.427,0.426,0.542,0.428,0.517,0.514,0.515,0.591,0.591,0.728,0.541,0.593,0.835,0.732,0.729,1.0,0.521,0.505,0.487,0.441,0.34,0.294,0.272,0.271,0.217,0.203,0.189,0.169,0.169,0.151,0.125,0.118,0.117,0.116,0.115]
mp-1104517	Yb3Ga9Pt2	data_[Yb6Ga18Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Ga 1.8100 1.3000 0.7600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.2995] _cell_length_b [9.7147] _cell_length_c [12.3841] _...	train	[0.393,0.467,0.419,0.391,0.411,0.622,0.251,0.487,0.769,0.482,0.468,0.693,0.805,0.385,0.508,0.962,0.317,0.669,0.318,0.382,1.0,0.403,0.4,0.376,0.305,0.202,0.194,0.18,0.157,0.148,0.146,0.126,0.123,0.123,0.114,0.109,0.105,0.102,0.098,0.091]
mp-561310	NaLiCO3	data_[Na3Li3C3O9] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.4184] _cell_length_b [8.4184...	train	[0.322,0.376,0.235,0.567,0.401,0.361,0.478,0.599,0.51,0.637,0.411,0.498,0.469,0.741,0.556,0.271,0.792,0.719,0.941,0.644,1.0,0.568,0.441,0.397,0.343,0.251,0.24,0.217,0.188,0.153,0.126,0.125,0.115,0.088,0.087,0.083,0.078,0.065,0.062,0.048]
mp-777964	Na2BiO3	data_[Na8Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0011] _cell_length_b [10.3518] _cell_length_c [5.9525] _ce...	train	[0.176,0.41,0.353,0.337,0.199,0.408,0.223,0.352,0.355,0.588,0.592,0.19,0.26,0.336,0.448,0.541,0.304,0.59,0.593,0.737,1.0,0.648,0.452,0.381,0.367,0.328,0.289,0.226,0.225,0.219,0.211,0.205,0.203,0.189,0.161,0.133,0.124,0.108,0.106,0.105]
mp-1078776	InBiS3	data_[In2Bi2S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.6703] _cell_length_b [3.9358] _cell_length_c [9.9439] _ce...	train	[0.357,0.18,0.148,0.355,0.308,0.5,0.522,0.27,0.322,0.299,0.245,0.636,0.392,0.513,0.316,0.512,0.331,0.504,0.403,0.747,1.0,0.616,0.607,0.529,0.422,0.377,0.333,0.33,0.321,0.217,0.203,0.195,0.192,0.191,0.174,0.147,0.128,0.108,0.099,0.094]
mp-1217581	TbAlNi4	data_[Tb2Al2Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.0138] _cell_length_b [8.4008] _cell_length_c [4.0044] _ce...	train	[0.482,0.473,0.408,0.343,0.503,0.339,0.466,0.663,0.247,0.773,0.705,0.793,0.869,0.479,0.398,0.914,0.229,0.69,0.908,0.722,1.0,0.816,0.551,0.497,0.438,0.375,0.348,0.259,0.245,0.234,0.2,0.163,0.163,0.159,0.147,0.147,0.135,0.129,0.111,0.099]
mp-1226849	CdIn3Te4As	data_[Cd1In3Te4As1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3979] _cell_length_b [7.754...	train	[0.269,0.269,0.267,0.269,0.441,0.443,0.444,0.444,0.447,0.446,0.64,0.522,0.639,0.521,0.525,0.523,0.527,0.524,0.524,0.524,1.0,0.991,0.986,0.985,0.512,0.506,0.499,0.498,0.487,0.483,0.163,0.162,0.16,0.159,0.157,0.153,0.151,0.15,0.149,0.148]
mp-1188441	TiCu4	data_[Ti4Cu16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.4982] _cell_length_b [4.3362] _cell_length_c [13.0316] _cell_angle_alpha [90.0000] _cell...	train	[0.504,0.505,0.463,0.444,0.874,0.972,0.808,0.657,0.445,0.999,0.874,0.97,0.658,0.806,0.959,0.267,0.24,0.962,0.323,0.516,1.0,0.494,0.435,0.24,0.171,0.169,0.141,0.14,0.123,0.117,0.085,0.084,0.072,0.071,0.022,0.014,0.012,0.01,0.009,0.007]
mp-2400	NaS	data_[Na4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.5143] _cell_length_b [4.5143] _cell_length_c [10.2841] _cell_angle_alpha [90.0000] _cel...	train	[0.444,0.319,0.387,0.557,0.271,0.467,0.888,0.253,0.732,0.555,0.806,0.731,0.6,0.769,0.97,0.957,0.822,0.66,0.192,0.764,1.0,0.792,0.453,0.437,0.402,0.218,0.205,0.18,0.179,0.153,0.146,0.121,0.113,0.1,0.094,0.091,0.072,0.071,0.069,0.052]
mp-755297	Li2CoO2	data_[Li2Co1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.1530] _cell_length_b [3.1530] _cell_length_c [5.1243] _cel...	train	[0.415,0.192,0.542,0.651,0.364,0.715,0.684,0.795,0.884,0.927,0.926,0.596,0.779,0.389,0.764,0.822,-100,-100,-100,-100,1.0,0.889,0.613,0.274,0.254,0.172,0.151,0.123,0.119,0.077,0.057,0.05,0.034,0.032,0.03,0.025,-100,-100,-100,-100]
mp-1112148	Cs2NaMoI6	data_[Cs8Na4Mo4I24] 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 Mo 2.1600 1.4500 0.7750 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.0370] _cell_length_b [12...	train	[0.285,0.33,0.472,0.559,0.777,0.585,0.864,0.754,0.142,0.927,0.927,0.685,0.432,0.432,0.232,0.922,0.922,0.164,0.605,0.605,1.0,0.837,0.599,0.428,0.245,0.204,0.177,0.16,0.142,0.115,0.115,0.092,0.08,0.08,0.064,0.061,0.061,0.054,0.052,0.052]
mp-20950	Nd(SiPt)2	data_[Nd2Si4Pt4] 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 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2516] _cell_length_b [4.2516] _cell_length_c [9.9866] _...	train	[0.387,0.473,0.197,0.81,0.632,0.4,0.71,0.526,0.38,0.686,0.253,0.817,0.516,0.33,0.619,0.903,0.561,0.756,0.72,0.848,1.0,0.349,0.25,0.239,0.197,0.18,0.166,0.132,0.122,0.117,0.107,0.092,0.089,0.086,0.06,0.057,0.044,0.036,0.034,0.032]
mp-1019278	TbGeAu	data_[Tb2Ge2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.4847] _cell_length_b [4.4847] _cell_length_c [7.3816] _...	train	[0.372,0.447,0.288,0.592,0.765,0.728,0.484,0.812,0.755,0.965,0.838,0.549,0.675,0.539,0.719,0.911,0.527,0.268,0.913,0.612,1.0,0.719,0.334,0.269,0.251,0.204,0.196,0.125,0.085,0.082,0.08,0.079,0.074,0.065,0.056,0.052,0.046,0.044,0.037,0.023]
mp-547792	KSbO3	data_[K6Sb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.4752] _cell_length_b [5.4752] _cell_length_c [18.6373] _cell_...	train	[0.158,0.49,0.363,0.298,0.234,0.398,0.618,0.215,0.649,0.476,0.319,0.61,0.339,0.737,0.844,0.672,0.762,0.586,0.773,0.577,1.0,0.763,0.707,0.672,0.599,0.399,0.292,0.273,0.218,0.186,0.185,0.179,0.175,0.141,0.121,0.113,0.099,0.09,0.086,0.084]
mp-16341	Li2HgGe	data_[Li8Hg4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.4742] _cell_length_b [6.4742] _cell_length_c [6.4742] _c...	train	[0.306,0.437,0.264,0.715,0.793,0.541,0.517,0.632,0.941,0.695,0.995,0.849,0.849,-100,-100,-100,-100,-100,-100,-100,1.0,0.913,0.41,0.374,0.321,0.286,0.223,0.157,0.104,0.095,0.081,0.074,0.074,-100,-100,-100,-100,-100,-100,-100]
mp-1215947	YLu(BIr)8	data_[Y1Lu1B8Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Lu 1.2700 1.7500 1.0010 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.3975] _cell_length_b [5.3975...	train	[0.393,0.436,0.324,0.444,0.497,0.529,0.785,0.896,0.805,0.774,0.704,0.226,0.71,0.927,0.749,0.631,0.554,0.588,0.6,0.543,1.0,0.624,0.579,0.514,0.432,0.269,0.265,0.205,0.202,0.17,0.149,0.135,0.134,0.116,0.111,0.11,0.104,0.099,0.094,0.094]
mp-1224950	FeCoSb4	data_[Fe1Co1Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.7418] _cell_length_b [3.2708] _cell_length_c [6.4742] _ce...	train	[0.383,0.383,0.352,0.353,0.35,0.563,0.491,0.492,0.625,0.34,0.346,0.38,0.734,0.566,0.379,0.565,0.734,0.552,0.552,0.618,1.0,0.972,0.953,0.907,0.793,0.792,0.466,0.455,0.33,0.321,0.317,0.239,0.223,0.22,0.22,0.22,0.213,0.187,0.186,0.168]
mp-867272	LiAlCu2	data_[Li4Al4Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8781] _cell_length_b [5.8781] _cell_length_c [5.8781] _c...	train	[0.484,0.338,0.888,0.703,0.798,0.6,0.292,0.573,0.775,0.955,0.955,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.534,0.296,0.153,0.151,0.13,0.046,0.02,0.008,0.006,0.006,-100,-100,-100,-100,-100,-100,-100,-100,-100]
mp-1185774	Mg2Sc	data_[Mg8Sc4] 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 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2597] _cell_length_b [16.5897] _cell_length_c [5.1787] _cell_angle_alpha [90.0000] _cell_...	train	[0.404,0.409,0.385,0.354,0.765,0.703,0.119,0.638,0.531,0.771,0.36,0.755,0.706,0.627,0.535,0.783,0.306,0.225,0.31,0.812,1.0,0.468,0.38,0.234,0.178,0.178,0.165,0.16,0.14,0.128,0.122,0.093,0.085,0.085,0.075,0.064,0.058,0.053,0.049,0.037]
mp-776164	LiFeF4	data_[Li2Fe2F8] 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 [P2_1/c] _cell_length_a [5.6494] _cell_length_b [4.7727] _cell_length_c [5.6591] _ce...	train	[0.294,0.192,0.283,0.442,0.443,0.605,0.582,0.582,0.412,0.581,0.736,0.583,0.353,0.674,0.388,0.464,0.472,0.557,0.471,0.739,1.0,0.95,0.694,0.28,0.254,0.25,0.182,0.175,0.171,0.167,0.164,0.162,0.158,0.129,0.128,0.107,0.107,0.105,0.096,0.086]
mp-30875	Ti2Sn	data_[Ti4Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.7532] _cell_length_b [4.7532] _cell_length_c [5.6418] _cell_angle_alpha [90.0000] _ce...	train	[0.421,0.43,0.298,0.558,0.766,0.614,0.877,0.352,0.76,0.24,0.899,0.522,0.687,0.859,0.595,0.994,0.736,0.889,0.968,0.75,1.0,0.696,0.417,0.29,0.239,0.237,0.227,0.17,0.169,0.114,0.107,0.104,0.1,0.086,0.073,0.064,0.062,0.054,0.047,0.04]
mp-15822	LiSmGe	data_[Li3Sm3Ge3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.2231] _cell_length_b [7.2231] _cell_length_c [4.3344] _c...	train	[0.393,0.358,0.274,0.228,0.317,0.635,0.586,0.157,0.485,0.463,0.771,0.423,0.482,0.766,0.57,0.545,0.8,0.887,0.686,0.641,1.0,0.83,0.404,0.386,0.379,0.305,0.243,0.236,0.236,0.231,0.214,0.189,0.164,0.16,0.15,0.126,0.124,0.121,0.113,0.113]
mp-1111567	K2ScTlF6	data_[K8Sc4Tl4F24] 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 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3473] _cell_length_b [9.347...	train	[0.3,0.211,0.428,0.353,0.53,0.183,0.468,0.618,0.481,0.847,0.699,0.659,0.659,0.564,0.564,0.874,0.874,0.649,0.987,0.987,1.0,0.568,0.415,0.393,0.383,0.381,0.261,0.247,0.247,0.217,0.204,0.12,0.12,0.12,0.12,0.113,0.113,0.112,0.104,0.104]
mp-684705	CaLaMnMoO6	data_[Ca2La2Mn2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.8775 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...	train	[0.35,0.347,0.355,0.501,0.344,0.21,0.499,0.625,0.631,0.215,0.617,0.213,0.614,0.414,0.724,0.616,0.628,0.732,0.62,0.571,1.0,0.995,0.483,0.48,0.438,0.435,0.302,0.249,0.231,0.219,0.206,0.188,0.139,0.128,0.127,0.123,0.123,0.12,0.107,0.091]
mp-2832	Cr2Se3	data_[Cr12Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.3592] _cell_length_b [6.3592] _cell_length_c [17.6831] _cell_angle_alpha [90.0000] _cell...	train	[0.355,0.464,0.552,0.61,0.67,0.936,0.167,0.909,0.743,0.974,0.337,0.858,0.659,0.187,0.701,0.983,0.211,0.58,0.428,0.287,1.0,0.533,0.367,0.214,0.149,0.132,0.131,0.119,0.118,0.109,0.075,0.074,0.066,0.053,0.052,0.046,0.045,0.027,0.026,0.016]
mp-865364	DyTaRu2	data_[Dy4Ta4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ta 1.5000 1.4500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5493] _cell_length_b [6.5493] _cell_length_c [6.5493] _c...	train	[0.432,0.783,0.624,0.928,0.303,0.706,0.535,0.998,0.998,0.261,0.511,0.686,0.981,0.838,0.838,-100,-100,-100,-100,-100,1.0,0.346,0.171,0.11,0.072,0.03,0.022,0.016,0.016,0.003,0.001,0.001,0.001,0.001,0.001,-100,-100,-100,-100,-100]
mp-12571	HfBeSi	data_[Hf2Be2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.7080] _cell_length_b [3.7080] _cell_length_c [7.1347]...	train	[0.419,0.309,0.546,0.277,0.706,0.936,0.658,0.621,0.819,0.638,0.972,0.569,0.876,0.894,0.339,0.898,0.529,0.655,0.891,0.787,1.0,0.742,0.278,0.25,0.219,0.204,0.185,0.177,0.168,0.102,0.095,0.082,0.081,0.077,0.018,0.01,0.005,0.003,0.002,0.002]
mp-1225679	ErGaNi	data_[Er4Ga4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.6586] _cell_length_b [4.1784] _cell_length_c [6.7770] _ce...	train	[0.393,0.412,0.468,0.481,0.396,0.377,0.271,0.416,0.378,0.413,0.801,0.73,0.453,0.651,0.478,0.44,0.847,0.684,0.625,0.602,1.0,0.621,0.59,0.533,0.508,0.472,0.384,0.334,0.256,0.207,0.206,0.205,0.184,0.181,0.157,0.148,0.144,0.12,0.12,0.116]
mp-1102038	MgH2	data_[Mg4H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [4.8232] _cell_length_b [4.8232] _cell_length_c [4.8232] _cell_angle_alpha [90.0000] _cell_ang...	train	[0.357,0.414,0.711,0.597,0.981,0.747,0.883,0.465,0.512,0.816,0.637,0.637,0.916,0.916,0.782,0.949,0.949,-100,-100,-100,1.0,0.483,0.409,0.35,0.144,0.112,0.047,0.004,0.002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-100,-100,-100]
mp-1187002	Sm2MgCd	data_[Sm8Mg4Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.6581] _cell_length_b [7.6581] _cell_length_c [7.6581] _c...	train	[0.368,0.657,0.528,0.879,0.258,0.771,0.223,0.595,0.433,0.454,0.983,0.826,0.826,0.578,0.931,0.701,0.701,0.812,0.918,-100,1.0,0.372,0.18,0.158,0.157,0.114,0.095,0.069,0.052,0.049,0.041,0.034,0.034,0.022,0.02,0.016,0.016,0.015,0.006,-100]
mp-15634	Cs2NaTiF6	data_[Cs12Na6Ti6F36] 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 Ti 1.5400 1.4000 0.8517 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.3868] _cell_length_b [6.3...	train	[0.31,0.284,0.425,0.238,0.394,0.31,0.642,0.549,0.534,0.381,0.443,0.549,0.713,0.882,0.498,0.365,0.673,0.581,0.584,0.766,1.0,0.668,0.535,0.441,0.397,0.319,0.24,0.189,0.186,0.165,0.157,0.148,0.117,0.108,0.105,0.101,0.1,0.1,0.097,0.095]
mp-1667	Co2Ge	data_[Co4Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.0053] _cell_length_b [4.0053] _cell_length_c [5.0150] _cell_angle_alpha [90.0000] _ce...	train	[0.503,0.495,0.727,0.924,0.929,0.656,0.398,0.843,0.348,0.832,0.285,0.623,0.684,0.885,0.586,0.8,0.907,-100,-100,-100,1.0,0.899,0.265,0.26,0.151,0.129,0.094,0.066,0.018,0.005,0.005,0.005,0.004,0.002,0.001,0.001,0.001,-100,-100,-100]
mp-29337	Tl3BS3	data_[Tl6B2S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.7899] _cell_length_b [9.9908] _cell_length_c [6.7377] _cell...	train	[0.345,0.243,0.247,0.322,0.29,0.359,0.347,0.527,0.233,0.503,0.424,0.338,0.38,0.451,0.262,0.411,0.418,0.333,0.372,0.574,1.0,0.722,0.678,0.603,0.576,0.47,0.425,0.285,0.268,0.243,0.236,0.22,0.214,0.212,0.194,0.187,0.18,0.179,0.151,0.149]
mp-1102002	FeTe2	data_[Fe4Te8] 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 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [6.2713] _cell_length_b [6.2713] _cell_length_c [6.2713] _cell_angle_alpha [90.0000] _cell_a...	train	[0.355,0.389,0.535,0.609,0.762,0.921,0.921,0.585,0.979,0.941,0.882,0.882,0.655,0.782,0.452,0.741,0.316,0.72,0.56,0.823,1.0,0.708,0.413,0.401,0.208,0.168,0.168,0.164,0.146,0.108,0.102,0.102,0.091,0.085,0.057,0.041,0.03,0.019,0.018,0.015]
mp-22592	CaTi4(CuO4)3	data_[Ca2Ti8Cu6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Im-3] _cell_length_a [7.4601] _cell_length_b [7.46...	train	[0.378,0.676,0.543,0.907,0.795,0.424,0.466,0.326,0.505,0.187,0.823,0.823,0.578,0.578,0.852,0.852,0.644,0.766,0.879,0.879,1.0,0.501,0.292,0.155,0.127,0.069,0.06,0.046,0.04,0.029,0.023,0.023,0.017,0.017,0.014,0.014,0.01,0.009,0.008,0.008]
mp-4482	NaSbO3	data_[Na6Sb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.3836] _cell_length_b [5.3836] _cell_length_c [16.2563] _cel...	train	[0.182,0.529,0.37,0.414,0.324,0.244,0.22,0.687,0.661,0.498,0.633,0.69,0.884,0.775,0.367,0.373,0.67,0.804,0.777,0.893,1.0,0.658,0.616,0.611,0.519,0.493,0.466,0.226,0.225,0.187,0.171,0.152,0.121,0.104,0.101,0.088,0.086,0.086,0.083,0.073]
mp-867135	ScZnPd2	data_[Sc4Zn4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.3848] _cell_length_b [6.3848] _cell_length_c [6.3848] _c...	train	[0.444,0.806,0.642,0.311,0.957,0.726,0.549,0.268,0.525,0.706,0.864,0.864,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.321,0.163,0.119,0.102,0.045,0.034,0.015,0.009,0.004,0.003,0.003,-100,-100,-100,-100,-100,-100,-100,-100]
mp-1225810	Cu2SiTe3	data_[Cu4Si2Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.2527] _cell_length_b [12.5882] _cell_length_c [5.9445] _c...	train	[0.286,0.289,0.477,0.561,0.566,0.472,0.479,0.332,0.565,0.566,0.868,0.691,0.877,0.761,0.765,0.334,0.873,0.933,0.877,0.694,1.0,0.981,0.874,0.31,0.302,0.225,0.216,0.168,0.152,0.149,0.143,0.142,0.139,0.121,0.12,0.083,0.07,0.069,0.069,0.069]
mp-1103663	Sr3TaHO6	data_[Sr6Ta2H2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.4742] _cell_length_b [8.6482] ...	train	[0.31,0.328,0.308,0.319,0.191,0.207,0.464,0.475,0.569,0.483,0.534,0.421,0.565,0.582,0.572,0.548,0.228,0.681,0.381,0.493,1.0,0.956,0.591,0.543,0.444,0.431,0.292,0.268,0.221,0.208,0.183,0.182,0.177,0.174,0.171,0.162,0.153,0.142,0.133,0.126]
mp-1227942	BaGaGe	data_[Ba1Ga1Ge1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.4069] _cell_length_b [4.4069] _cell_length_c [5.1044] _c...	train	[0.325,0.455,0.612,0.568,0.391,0.75,0.661,0.988,0.947,0.984,0.259,0.831,0.829,0.987,0.474,0.826,0.842,0.673,0.53,0.718,1.0,0.368,0.305,0.207,0.188,0.179,0.131,0.088,0.088,0.081,0.067,0.067,0.062,0.04,0.027,0.021,0.011,0.01,0.01,0.008]
mp-1206487	Yb(CdAs)2	data_[Yb1Cd2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4417] _cell_length_b [4.4417] _cell_length_c [7.1522] _c...	train	[0.38,0.292,0.451,0.602,0.497,0.776,0.629,0.545,0.728,0.821,0.631,0.419,0.853,0.78,0.689,0.977,0.886,0.958,0.957,0.938,1.0,0.922,0.794,0.265,0.244,0.244,0.192,0.169,0.14,0.132,0.11,0.106,0.097,0.095,0.091,0.086,0.081,0.068,0.059,0.058]
mp-1224823	GaGePt6	data_[Ga2Ge2Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [5.5847] _cell_length_b [5.5847] _cell_length_c [7.9502] _...	train	[0.438,0.511,0.419,0.507,0.742,0.891,0.896,0.784,0.355,0.558,0.883,0.943,0.745,0.575,0.25,0.847,0.249,0.794,0.78,0.982,1.0,0.275,0.236,0.197,0.181,0.128,0.126,0.113,0.107,0.106,0.082,0.063,0.059,0.05,0.046,0.045,0.04,0.04,0.039,0.033]
mp-643814	Zn2SiH2O5	data_[Zn8Si4H8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [8.5161] _cell_length_b [10.881...	train	[0.315,0.297,0.147,0.41,0.385,0.181,0.334,0.211,0.232,0.401,0.552,0.667,0.559,0.448,0.707,0.791,0.454,0.295,0.603,0.695,1.0,0.641,0.6,0.537,0.506,0.461,0.427,0.344,0.325,0.258,0.218,0.208,0.204,0.199,0.194,0.183,0.177,0.167,0.147,0.139]
mp-568529	PrMg2Ni9	data_[Pr3Mg6Ni27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.8964] _cell_length_b [4.8964] _cell_length_c [23.6058] _...	train	[0.484,0.125,0.476,0.513,0.287,0.787,0.408,0.482,0.867,0.522,0.412,0.428,0.377,0.929,0.314,0.65,0.565,0.567,0.683,0.38,1.0,0.378,0.3,0.287,0.233,0.217,0.217,0.203,0.193,0.184,0.167,0.154,0.11,0.097,0.091,0.084,0.08,0.078,0.075,0.071]
mp-10626	Yb(SiRh)2	data_[Yb2Si4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1003] _cell_length_b [4.1003] _cell_length_c [9.9349] _...	train	[0.398,0.491,0.387,0.261,0.843,0.648,0.402,0.721,0.638,0.714,0.568,0.562,0.775,0.845,0.836,0.853,0.536,0.96,0.198,0.956,1.0,0.366,0.332,0.331,0.222,0.177,0.177,0.177,0.157,0.119,0.111,0.09,0.087,0.08,0.036,0.035,0.026,0.025,0.021,0.02]
mp-759676	V4O7F5	data_[V8O14F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.1959] _cell_length_b [5.2182] _cell_length_c [8.7779] _cell_ang...	train	[0.265,0.274,0.543,0.377,0.607,0.561,0.607,0.62,0.459,0.391,0.45,0.618,0.447,0.69,0.626,0.374,0.638,0.382,0.794,0.885,1.0,0.468,0.2,0.113,0.089,0.084,0.079,0.078,0.067,0.066,0.066,0.06,0.058,0.057,0.057,0.054,0.052,0.04,0.035,0.032]
mp-754736	BaSr3I8	data_[Ba2Sr6I16] 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 [I4/mmm] _cell_length_a [8.1436] _cell_length_b [8.1436] _cell_length_c [16.3250] _...	train	[0.345,0.345,0.614,0.21,0.243,0.613,0.494,0.719,0.242,0.425,0.407,0.493,0.815,0.817,0.817,0.91,0.72,0.406,0.555,0.556,1.0,0.498,0.378,0.276,0.231,0.19,0.181,0.117,0.116,0.104,0.103,0.091,0.081,0.08,0.08,0.061,0.058,0.052,0.047,0.047]
mp-862287	BeAlRh2	data_[Be4Al4Rh8] 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 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.8165] _cell_length_b [5.8165] _cell_length_c [5.8165] _c...	train	[0.489,0.342,0.9,0.808,0.607,0.711,0.295,0.579,0.784,0.967,0.967,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.725,0.326,0.233,0.187,0.16,0.019,0.009,0.004,0.003,0.003,-100,-100,-100,-100,-100,-100,-100,-100,-100]
mp-1185135	KBr3	data_[K2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.4509] _cell_length_b [6.4509] _cell_length_c [7.7155] _cell_angle_alpha [90.0000] _cell...	train	[0.379,0.256,0.534,0.693,0.443,0.356,0.635,0.758,0.856,0.773,0.524,0.865,0.218,0.646,0.799,0.918,0.403,0.307,0.955,0.819,1.0,0.628,0.365,0.218,0.214,0.199,0.143,0.124,0.118,0.117,0.086,0.086,0.084,0.068,0.036,0.025,0.024,0.023,0.023,0.022]
mp-676315	Y2GeI2	data_[Y6Ge3I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2632] _cell_length_b [4.2632] _cell_length_c [32.2112] _cell_...	train	[0.309,0.471,0.489,0.366,0.345,0.572,0.761,0.275,0.765,0.091,0.874,0.697,0.412,0.862,0.611,0.567,0.608,0.183,0.276,0.795,1.0,0.456,0.312,0.3,0.252,0.176,0.172,0.157,0.145,0.115,0.11,0.106,0.102,0.075,0.071,0.07,0.068,0.062,0.062,0.06]
mp-550220	CoGeO3	data_[Co8Ge8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.8160] _cell_length_b [9.0963] _cell_length_c [5.1923] _cell_...	train	[0.386,0.328,0.382,0.335,0.392,0.7,0.686,0.3,0.628,0.349,0.465,0.292,0.679,0.648,0.688,0.738,0.643,0.725,0.547,0.807,1.0,0.954,0.948,0.904,0.727,0.474,0.425,0.403,0.4,0.373,0.318,0.302,0.235,0.222,0.181,0.157,0.156,0.145,0.135,0.132]
mp-571044	CeSi2Ir3	data_[Ce1Si2Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [5.5817] _cell_length_b [5.5817] _cell_length_c [3.7246] _...	train	[0.413,0.337,0.497,0.449,0.7,0.265,0.623,0.97,0.745,0.543,0.698,0.881,0.837,0.936,0.803,0.984,0.204,0.951,0.886,0.853,1.0,0.672,0.545,0.514,0.437,0.301,0.242,0.233,0.228,0.195,0.14,0.114,0.101,0.092,0.09,0.083,0.079,0.061,0.044,0.013]
mp-766870	Mn5O9F	data_[Mn5O9F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.8775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0753] _cell_length_b [5.1151] _cell_length_c [7.8445] _cell_ang...	train	[0.205,0.473,0.484,0.485,0.389,0.397,0.397,0.642,0.629,0.643,0.692,0.692,0.703,0.698,0.699,0.705,0.417,0.526,0.525,0.529,1.0,0.165,0.158,0.158,0.119,0.107,0.107,0.05,0.05,0.05,0.046,0.046,0.045,0.036,0.035,0.035,0.03,0.028,0.028,0.026]
mp-552963	Pr2Ti2S2O5	data_[Pr4Ti4S4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8889] _cell_length_b [3.88...	train	[0.284,0.362,0.084,0.393,0.168,0.519,0.464,0.446,0.6,0.666,0.716,0.714,0.503,0.924,0.372,0.332,0.644,0.253,0.339,0.758,1.0,0.626,0.534,0.522,0.481,0.385,0.361,0.349,0.259,0.214,0.196,0.179,0.175,0.173,0.162,0.151,0.128,0.119,0.118,0.114]
mp-1025252	Cs2MnCl4	data_[Cs4Mn2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mn 1.5500 1.4000 0.8775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.2252] _cell_length_b [5.2252] _cell_length_c [17.0796] ...	train	[0.257,0.268,0.356,0.381,0.464,0.525,0.349,0.548,0.667,0.444,0.618,0.231,0.618,0.663,0.663,0.292,0.45,0.9,0.197,0.917,1.0,0.922,0.842,0.768,0.429,0.336,0.284,0.257,0.253,0.199,0.176,0.174,0.165,0.161,0.143,0.142,0.125,0.121,0.119,0.112]
mp-570668	LaSe2	data_[La4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.6381] _cell_length_b [4.2801] _cell_length_c [8.5628] _cell_angle_alpha [90.0000] _cell...	train	[0.402,0.403,0.328,0.348,0.345,0.348,0.469,0.418,0.469,0.258,0.68,0.419,0.257,0.418,0.593,0.642,0.594,0.228,0.258,0.591,1.0,0.97,0.805,0.774,0.77,0.685,0.642,0.57,0.484,0.369,0.315,0.286,0.26,0.253,0.227,0.2,0.175,0.165,0.163,0.148]
mp-973935	OsN2	data_[Os1N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [2.8242] _cell_length_b [2.8242] _cell_length_c [4.9643] _cell_angle_alpha [90.0000] _cell_a...	train	[0.199,0.408,0.457,0.584,0.761,0.402,0.769,0.865,0.735,0.9,0.992,0.981,0.868,0.617,0.853,-100,-100,-100,-100,-100,1.0,0.868,0.788,0.497,0.248,0.238,0.183,0.158,0.148,0.121,0.117,0.097,0.092,0.078,0.022,-100,-100,-100,-100,-100]
mp-1217143	Ti3AgS6	data_[Ti9Ag3S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.9423] _cell_length_b [5.9423] _cell_length_c [19.3781] _cel...	train	[0.459,0.369,0.198,0.593,0.217,0.334,0.281,0.774,0.91,0.32,0.152,0.583,0.391,0.634,0.401,0.731,0.41,0.522,0.53,0.562,1.0,0.445,0.428,0.359,0.355,0.24,0.21,0.188,0.161,0.153,0.126,0.1,0.09,0.079,0.079,0.079,0.072,0.072,0.068,0.057]
mp-1206941	Rb(CoP)2	data_[Rb2Co4P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7012] _cell_length_b [3.7012] _cell_length_c [13.9374] _c...	train	[0.343,0.408,0.585,0.284,0.141,0.547,0.658,0.625,0.277,0.931,0.802,0.832,0.726,0.955,0.867,0.48,0.862,0.584,0.45,0.895,1.0,0.933,0.691,0.579,0.501,0.428,0.286,0.244,0.228,0.152,0.13,0.109,0.106,0.104,0.088,0.086,0.086,0.083,0.076,0.06]
mp-567807	TmZrSb	data_[Tm4Zr4Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zr 1.3300 1.5500 0.8600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2590] _cell_length_b [4.2590] _cell_length_c [16.4333] ...	train	[0.411,0.352,0.472,0.383,0.33,0.363,0.607,0.62,0.823,0.684,0.911,0.737,0.788,0.794,0.295,0.608,0.795,0.497,0.776,0.6,1.0,0.991,0.738,0.554,0.511,0.461,0.425,0.279,0.254,0.242,0.225,0.201,0.188,0.188,0.148,0.142,0.127,0.11,0.091,0.081]
mp-862259	Sc3Al	data_[Sc6Al2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [6.3148] _cell_length_b [6.3148] _cell_length_c [5.0477] _cell_angle_alpha [90.0000] _ce...	train	[0.416,0.395,0.364,0.782,0.723,0.65,0.546,0.794,0.267,0.886,0.94,0.837,0.763,0.314,0.487,0.64,0.512,0.873,0.594,0.528,1.0,0.259,0.246,0.176,0.171,0.16,0.143,0.125,0.057,0.03,0.026,0.024,0.024,0.017,0.01,0.008,0.008,0.005,0.004,0.004]
mvc-15303	ReSbO6	data_[Re2Sb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.2164] _cell_length_b [7.3823] _cell_length_c [5.3635] _c...	train	[0.264,0.264,0.268,0.379,0.379,0.371,0.472,0.382,0.463,0.612,0.612,0.617,0.617,0.541,0.541,0.549,0.683,0.677,0.682,0.669,1.0,0.991,0.967,0.556,0.55,0.313,0.267,0.247,0.232,0.204,0.199,0.196,0.194,0.168,0.167,0.163,0.147,0.14,0.138,0.13]
mp-757085	Li2CrCoO4	data_[Li8Cr4Co4O16] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8990] _cell_length_b [5.91...	train	[0.204,0.481,0.204,0.698,0.48,0.396,0.396,0.414,0.414,0.395,0.7,0.699,0.883,0.881,0.526,0.395,0.637,0.636,0.526,0.528,1.0,0.991,0.822,0.539,0.499,0.321,0.225,0.166,0.164,0.149,0.135,0.134,0.121,0.121,0.111,0.107,0.091,0.074,0.067,0.059]
mp-1070264	La2Ni2I	data_[La2Ni2I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.1626] _cell_length_b [4.1626] _cell_length_c [8.9179] _cel...	train	[0.355,0.483,0.274,0.611,0.436,0.806,0.296,0.677,0.641,0.45,0.11,0.887,0.597,0.667,0.855,0.771,0.832,0.334,0.887,0.563,1.0,0.401,0.214,0.21,0.181,0.18,0.172,0.167,0.097,0.096,0.094,0.065,0.051,0.051,0.048,0.047,0.045,0.042,0.04,0.031]
mp-1025227	Rb2MgCl4	data_[Rb4Mg2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [5.0588] _cell_length_b [5.0588] _cell_length_c [16.3851] ...	train	[0.369,0.394,0.277,0.266,0.545,0.302,0.364,0.692,0.567,0.481,0.693,0.689,0.941,0.462,0.241,0.64,0.644,0.955,0.466,0.204,1.0,0.752,0.657,0.44,0.35,0.348,0.302,0.285,0.245,0.198,0.166,0.166,0.144,0.139,0.137,0.122,0.122,0.108,0.099,0.092]
mp-18198	ScSnPt	data_[Sc6Sn6Pt6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-62c] _cell_length_a [7.4533] _cell_length_b [7.4533] _cell_length_c [7.4304] _c...	train	[0.41,0.467,0.494,0.265,0.379,0.757,0.308,0.739,0.409,0.266,0.981,0.545,0.737,0.543,0.433,0.544,0.927,0.964,0.871,0.585,1.0,0.909,0.881,0.838,0.602,0.449,0.445,0.322,0.249,0.243,0.228,0.216,0.201,0.146,0.142,0.142,0.118,0.111,0.102,0.099]
mp-1095424	Pr4Mn2As5	data_[Pr4Mn2As5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.8775 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.2157] _cell_length_b [4.2157] _cell_length_c [17.5817] _...	train	[0.32,0.477,0.486,0.354,0.438,0.294,0.583,0.774,0.778,0.88,0.699,0.873,0.832,0.394,0.605,0.578,0.663,0.847,0.796,0.723,1.0,0.567,0.314,0.308,0.204,0.187,0.187,0.157,0.156,0.107,0.105,0.093,0.085,0.085,0.066,0.063,0.06,0.059,0.057,0.039]
mp-1102869	ZrSiIr	data_[Zr4Si4Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.5913] _cell_length_b [3.9895] _cell_length_c [7.4510] _ce...	train	[0.396,0.32,0.393,0.477,0.415,0.477,0.505,0.2,0.781,0.714,0.306,0.508,0.479,0.43,0.404,0.859,0.739,0.566,0.265,0.745,1.0,0.981,0.774,0.648,0.58,0.574,0.51,0.475,0.422,0.347,0.345,0.291,0.286,0.25,0.218,0.195,0.193,0.149,0.139,0.138]
mp-1206898	Y2InGe2	data_[Y4In2Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.4341] _cell_length_b [7.4341] _cell_length_c [4.1641] _ce...	train	[0.384,0.359,0.425,0.659,0.483,0.379,0.757,0.492,0.634,0.617,0.822,0.488,0.304,0.563,0.626,0.765,0.801,0.706,0.955,0.844,1.0,0.639,0.49,0.263,0.245,0.173,0.172,0.118,0.106,0.103,0.103,0.102,0.089,0.089,0.078,0.068,0.066,0.066,0.062,0.06]
mp-1113580	Rb2TmAgCl6	data_[Rb8Tm4Ag4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tm 1.2500 1.7500 1.0950 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.6961] _cell_length_b [...	train	[0.261,0.372,0.459,0.535,0.184,0.725,0.603,0.892,0.998,0.666,0.418,0.838,0.838,0.782,0.569,0.569,0.945,0.159,0.321,0.81,1.0,0.627,0.461,0.425,0.268,0.242,0.213,0.182,0.143,0.142,0.129,0.119,0.119,0.065,0.063,0.063,0.06,0.06,0.036,0.033]
mp-21437	Fe2TeO6	data_[Fe4Te2O12] 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 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.6713] _cell_length_b [4.6713] _cell_length_c [9.2170] ...	train	[0.3,0.388,0.589,0.237,0.749,0.618,0.428,0.747,0.699,0.894,0.214,0.961,0.669,0.445,0.371,0.494,0.82,0.988,0.918,0.483,1.0,0.672,0.628,0.236,0.198,0.165,0.163,0.133,0.125,0.095,0.085,0.084,0.078,0.076,0.075,0.063,0.054,0.042,0.038,0.032]
mp-1030682	Te3MoWSe	data_[Te6Mo2W2Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.5003] _cell_length_b [3.500...	train	[0.025,0.05,0.386,0.124,0.467,0.327,0.581,0.074,0.486,0.821,0.4,0.714,0.769,0.971,0.373,0.351,0.149,0.328,0.596,0.536,1.0,0.087,0.053,0.052,0.034,0.022,0.018,0.015,0.011,0.01,0.009,0.009,0.008,0.008,0.007,0.007,0.006,0.006,0.006,0.006]
mp-1217696	Tb2AlFe3	data_[Tb6Al3Fe9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2314] _cell_length_b [5.2314] _cell_length_c [12.7278] _c...	train	[0.383,0.45,0.449,0.381,0.452,0.231,0.683,0.73,0.803,0.807,0.729,0.471,0.917,0.732,0.682,0.959,0.687,0.92,0.6,0.958,1.0,0.949,0.753,0.673,0.552,0.551,0.369,0.261,0.246,0.241,0.223,0.209,0.16,0.145,0.129,0.125,0.124,0.112,0.095,0.08]
mp-1238847	Na(CrS2)2	data_[Na2Cr4S8] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.3824] _cell_length_b [3.3796] _cell_length_c [5.6320] _cel...	train	[0.144,0.444,0.367,0.396,0.483,0.58,0.625,0.464,0.603,0.717,0.503,0.799,0.354,0.195,0.74,0.632,0.476,0.678,0.548,0.623,1.0,0.409,0.254,0.148,0.121,0.103,0.102,0.096,0.084,0.055,0.049,0.047,0.047,0.044,0.039,0.039,0.038,0.036,0.036,0.035]
mp-1221909	Mn2Cr3GaS8	data_[Mn6Cr9Ga3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.8775 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.1924] _cell_length_b [7.19...	train	[0.392,0.323,0.564,0.564,0.323,0.515,0.275,0.168,0.324,0.515,0.829,0.275,0.515,0.704,0.791,0.948,0.662,0.948,0.484,0.484,1.0,0.951,0.799,0.787,0.462,0.415,0.332,0.309,0.299,0.273,0.219,0.183,0.173,0.143,0.134,0.116,0.112,0.109,0.065,0.063]
mp-567580	PaC	data_[Pa4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pa 1.5000 1.8000 1.0400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.0743] _cell_length_b [5.0743] _cell_length_c [5.0743] _cell_angle_alpha [90.0000] _cell_an...	train	[0.339,0.393,0.672,0.566,0.951,0.922,0.706,0.832,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.621,0.464,0.446,0.21,0.198,0.154,0.072,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100,-100]
mp-1207855	V5Te8	data_[V10Te16] 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 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5381] _cell_length_b [7.8859] _cell_length_c [8.9971] _cell_angle_alpha [90.0000] _cell_...	train	[0.335,0.332,0.338,0.527,0.316,0.344,0.433,0.438,0.512,0.568,0.624,0.446,0.437,0.628,0.63,0.611,0.293,0.574,0.582,0.62,1.0,0.496,0.445,0.392,0.256,0.239,0.238,0.23,0.222,0.141,0.139,0.124,0.099,0.097,0.097,0.094,0.093,0.084,0.083,0.078]
mp-1223641	K2MgCuF6	data_[K2Mg1Cu1F6] 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 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.7608] _cell_length_b [5.760...	train	[0.345,0.494,0.345,0.719,0.495,0.614,0.425,0.171,0.719,0.911,0.242,0.614,0.298,0.461,0.243,0.387,0.817,0.817,0.817,0.557,1.0,0.787,0.501,0.424,0.393,0.363,0.309,0.243,0.212,0.193,0.183,0.182,0.138,0.095,0.091,0.079,0.075,0.075,0.075,0.039]
mp-1219073	SmFe2Co2B	data_[Sm4Fe8Co8B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a [5.1056] _cell_length_b [8.917...	train	[0.489,0.366,0.453,0.491,0.365,0.45,0.388,0.769,0.82,0.591,0.767,0.391,0.681,0.685,0.682,0.436,0.223,0.725,0.764,0.826,1.0,0.9,0.763,0.482,0.433,0.393,0.314,0.245,0.214,0.192,0.164,0.16,0.148,0.148,0.145,0.144,0.137,0.133,0.122,0.105]
mp-1102155	ErAlAu	data_[Er4Al4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.1649] _cell_length_b [4.4011] _cell_length_c [7.8405] _ce...	train	[0.38,0.293,0.367,0.288,0.446,0.456,0.377,0.438,0.546,0.723,0.818,0.782,0.603,0.494,0.407,0.647,0.566,0.497,0.689,0.576,1.0,0.5,0.429,0.361,0.352,0.327,0.21,0.157,0.133,0.133,0.13,0.126,0.111,0.106,0.106,0.101,0.082,0.082,0.08,0.079]
mp-675739	Ce5CuSe8	data_[Ce10Cu2Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [8.7598] _cell_length_b [8.7598] _cell_length_c [9.0772] _c...	train	[0.359,0.348,0.358,0.417,0.426,0.423,0.275,0.534,0.729,0.27,0.564,0.515,0.592,0.592,0.585,0.511,0.5,0.579,0.824,0.727,1.0,0.849,0.799,0.722,0.468,0.429,0.361,0.307,0.22,0.22,0.202,0.193,0.183,0.183,0.181,0.181,0.179,0.163,0.145,0.144]
mp-1221196	Na4Eu(SiTe3)2	data_[Na8Eu2Si4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Eu 1.2000 1.8500 1.1985 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.7325] _cell_length_b [13.3...	train	[0.304,0.304,0.418,0.449,0.269,0.243,0.418,0.45,0.55,0.268,0.121,0.496,0.627,0.55,0.687,0.687,0.687,0.489,0.733,0.731,1.0,0.499,0.369,0.357,0.253,0.222,0.186,0.178,0.177,0.127,0.122,0.113,0.104,0.089,0.079,0.078,0.078,0.077,0.075,0.069]
mp-989588	LaOsN3	data_[La6Os6N18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [5.5954] _cell_length_b [5.5954] _cell_length_c [13.6136] _ce...	train	[0.357,0.355,0.511,0.635,0.633,0.638,0.849,0.846,0.747,0.743,0.25,0.944,0.951,0.576,0.574,0.795,0.797,0.997,0.801,0.992,1.0,0.999,0.49,0.405,0.21,0.198,0.174,0.172,0.153,0.151,0.098,0.078,0.027,0.022,0.02,0.009,0.007,0.005,0.004,0.004]
mp-1209057	Sc2Au	data_[Sc8Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.6158] _cell_length_b [4.6814] _cell_length_c [8.3923] _cell_angle_alpha [90.0000] _cell_a...	train	[0.285,0.279,0.388,0.416,0.427,0.519,0.242,0.299,0.52,0.517,0.517,0.688,0.529,0.669,0.82,0.384,0.479,0.573,0.839,0.735,1.0,0.764,0.758,0.699,0.445,0.443,0.418,0.383,0.328,0.314,0.272,0.232,0.173,0.171,0.153,0.135,0.131,0.126,0.123,0.121]
mp-866106	Ba2HgPb	data_[Ba8Hg4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5827] _cell_length_b [8.5827] _cell_length_c [8.5827] _c...	train	[0.327,0.58,0.939,0.468,0.769,0.679,0.23,0.855,0.526,0.403,0.725,0.725,0.813,0.897,0.199,0.385,0.713,0.512,0.618,0.618,1.0,0.41,0.217,0.191,0.179,0.129,0.048,0.045,0.027,0.018,0.013,0.013,0.008,0.006,0.0,0.0,0.0,0.0,0.0,0.0]
mp-864990	Mn2AlW	data_[Mn8Al4W4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.8775 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.9000] _cell_length_b [5.9000] _cell_length_c [5.9000] _cel...	train	[0.482,0.291,0.884,0.571,0.7,0.772,0.337,0.95,0.95,0.795,0.598,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.591,0.323,0.292,0.16,0.119,0.117,0.094,0.094,0.052,0.036,-100,-100,-100,-100,-100,-100,-100,-100,-100]
mp-1212860	DyZrF7	data_[Dy2Zr2F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Zr 1.3300 1.5500 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.1236] _cell_length_b [5.7263] _cell_length_c [8.3225] _cel...	train	[0.239,0.243,0.316,0.284,0.299,0.526,0.484,0.347,0.52,0.121,0.527,0.557,0.252,0.486,0.328,0.183,0.479,0.584,0.488,0.514,1.0,0.359,0.292,0.244,0.165,0.154,0.151,0.131,0.128,0.119,0.115,0.114,0.107,0.098,0.095,0.085,0.081,0.081,0.078,0.075]
mp-1104668	Eu3As4	data_[Eu24As32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [14.7399] _cell_length_b [17.5025] _cell_length_c [5.8438] _cell_angle_alpha [90.0000] _ce...	train	[0.417,0.367,0.366,0.314,0.487,0.539,0.656,0.656,0.248,0.268,0.819,0.818,0.75,0.589,0.749,0.588,0.563,0.19,0.797,0.797,1.0,0.954,0.926,0.886,0.671,0.43,0.261,0.244,0.244,0.23,0.177,0.161,0.16,0.151,0.15,0.14,0.128,0.118,0.117,0.113]
mp-694855	Li2MoO3	data_[Li4Mo2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2524] _cell_length_b [5.2596] _cell_length_c [5.2617] _cell_...	train	[0.199,0.467,0.466,0.468,0.216,0.226,0.385,0.385,0.383,0.254,0.227,0.295,0.255,0.295,0.677,0.676,0.675,0.678,0.68,0.679,1.0,0.274,0.273,0.27,0.232,0.209,0.181,0.163,0.154,0.142,0.134,0.106,0.105,0.101,0.081,0.08,0.08,0.078,0.076,0.076]
mp-559417	LaB2ClO4	data_[La2B4Cl2O8] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.2668] _cell_length_b [6.6696] ...	train	[0.157,0.241,0.276,0.37,0.371,0.281,0.471,0.365,0.269,0.268,0.268,0.462,0.329,0.467,0.436,0.362,0.343,0.12,0.341,0.431,1.0,0.555,0.308,0.308,0.308,0.303,0.252,0.249,0.224,0.211,0.208,0.178,0.178,0.176,0.175,0.17,0.168,0.168,0.167,0.165]
mp-753397	Ga2CuO4	data_[Ga16Cu8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.4245] _cell_length_b [8.4245] _cell_length_c [8.4245] _c...	train	[0.393,0.693,0.631,0.631,0.333,0.477,0.992,0.992,0.411,0.203,0.819,0.592,0.831,0.96,0.786,0.874,0.728,0.907,0.907,0.522,1.0,0.439,0.371,0.371,0.27,0.19,0.183,0.183,0.141,0.126,0.108,0.093,0.078,0.046,0.035,0.032,0.021,0.013,0.013,0.007]
mp-1238828	TiCrCuS4	data_[Ti2Cr2Cu2S8] 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 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.8472] _cell_length_b [3.4394...	train	[0.485,0.489,0.595,0.376,0.188,0.334,0.492,0.592,0.485,0.381,0.301,0.39,0.186,0.336,0.378,0.171,0.519,0.457,0.797,0.722,1.0,0.876,0.741,0.71,0.61,0.516,0.469,0.413,0.376,0.364,0.345,0.314,0.284,0.275,0.257,0.235,0.219,0.205,0.197,0.187]
mp-1518993	SrCaNdSbO6	data_[Sr2Ca2Nd2Sb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Nd 1.1400 1.8500 1.2765 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-4n2] _cell_lengt...	train	[0.337,0.341,0.604,0.206,0.489,0.596,0.476,0.701,0.98,0.969,0.807,0.987,0.786,0.417,0.401,0.89,0.711,0.805,0.394,0.529,1.0,0.609,0.473,0.307,0.289,0.248,0.185,0.185,0.145,0.125,0.12,0.102,0.093,0.089,0.084,0.081,0.078,0.071,0.045,0.037]
mp-7911	KCuO	data_[K8Cu8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [9.3643] _cell_length_b [9.3643] _cell_length_c [5.5527] _cell...	train	[0.366,0.206,0.358,0.454,0.589,0.299,0.644,0.572,0.572,0.478,0.949,0.949,0.472,0.335,0.771,0.672,0.552,0.73,0.617,0.497,1.0,0.832,0.577,0.337,0.291,0.23,0.181,0.176,0.176,0.124,0.114,0.114,0.112,0.104,0.095,0.093,0.092,0.088,0.078,0.073]
mp-1186678	PmZnHg2	data_[Pm4Zn4Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 Zn 1.6500 1.3500 0.8800 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2099] _cell_length_b [7.2099] _cell_length_c [7.2099] _c...	train	[0.391,0.702,0.563,0.946,0.827,0.274,0.635,0.237,0.483,0.887,0.887,0.462,0.617,0.872,0.75,0.75,0.989,-100,-100,-100,1.0,0.37,0.179,0.167,0.115,0.102,0.046,0.035,0.033,0.024,0.024,0.019,0.008,0.006,0.006,0.006,0.003,-100,-100,-100]
mp-1183895	Eu2GaHg	data_[Eu8Ga4Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.6821] _cell_length_b [7.6821] _cell_length_c [7.6821] _c...	train	[0.366,0.654,0.526,0.875,0.769,0.222,0.432,0.979,0.576,0.809,0.698,0.698,0.914,0.257,0.593,0.452,0.823,0.823,0.927,-100,1.0,0.38,0.183,0.166,0.118,0.104,0.062,0.043,0.028,0.022,0.022,0.022,0.008,0.004,0.001,0.001,0.001,0.001,0.0,-100]

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