# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90089151
_cell_length_b   31.78352789
_cell_length_c   51.57471420
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06691570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12951.3408594
_cell_formula_units_Z   330
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ta  Ta1  1  0.087051  0.361064  0.313549  1
  Ta  Ta2  1  0.072484  0.037890  0.286647  1
  Ta  Ta3  1  0.076089  0.688915  0.343550  1
  Ta  Ta4  1  0.554946  0.536151  0.287142  1
  Ta  Ta5  1  0.582947  0.189825  0.342562  1
  Ta  Ta6  1  0.578605  0.864600  0.315043  1
  Ta  Ta7  1  -0.000883  0.445357  0.320674  1
  Ta  Ta8  1  -0.011480  0.121257  0.289535  1
  Ta  Ta9  1  0.984162  0.770746  0.349150  1
  Ta  Ta10  1  0.126471  0.583956  0.336176  1
  Ta  Ta11  1  0.155428  0.262429  0.306024  1
  Ta  Ta12  1  0.145053  0.908843  0.363722  1
  Ta  Ta13  1  0.827156  0.480772  0.281245  1
  Ta  Ta14  1  0.830184  0.132719  0.334715  1
  Ta  Ta15  1  0.844349  0.811292  0.305728  1
  Ta  Ta16  1  0.308379  0.596183  0.293466  1
  Ta  Ta17  1  0.336885  0.247728  0.348557  1
  Ta  Ta18  1  0.327793  0.922488  0.319883  1
  Ta  Ta19  1  0.825168  0.302938  0.309538  1
  Ta  Ta20  1  0.809574  0.981599  0.283977  1
  Ta  Ta21  1  0.825584  0.630819  0.339650  1
  Ta  Ta22  1  0.341629  0.424084  0.313383  1
  Ta  Ta23  1  0.346514  0.089757  0.285269  1
  Ta  Ta24  1  0.324544  0.747624  0.346152  1
  Ta  Ta25  1  0.637806  0.294157  0.352497  1
  Ta  Ta26  1  0.637987  0.966353  0.325723  1
  Ta  Ta27  1  0.639376  0.635884  0.296460  1
  Ta  Ta28  1  0.482724  0.434571  0.364602  1
  Ta  Ta29  1  0.488092  0.108750  0.333726  1
  Ta  Ta30  1  0.484148  0.780574  0.304934  1
  Ta  Ta31  1  0.317369  0.509925  0.332951  1
  Ta  Ta32  1  0.296877  0.176544  0.300107  1
  Ta  Ta33  1  0.339692  0.833908  0.358728  1
  Ta  Ta34  1  0.888950  0.524160  0.330781  1
  Ta  Ta35  1  0.897173  0.204515  0.299834  1
  Ta  Ta36  1  0.892628  0.851921  0.357554  1
  Ta  Ta37  1  0.161029  0.512673  0.289248  1
  Ta  Ta38  1  0.133636  0.173513  0.343281  1
  Ta  Ta39  1  0.177298  0.837255  0.315350  1
  Ta  Ta40  1  0.894560  0.575136  0.290915  1
  Ta  Ta41  1  0.889785  0.236611  0.347365  1
  Ta  Ta42  1  0.908774  0.906063  0.317304  1
  Ta  Ta43  1  0.420408  0.323540  0.309582  1
  Ta  Ta44  1  0.409652  0.993017  0.282578  1
  Ta  Ta45  1  0.380113  0.642158  0.340426  1
  Ta  Ta46  1  0.687849  0.391318  0.316575  1
  Ta  Ta47  1  0.675507  0.061634  0.290723  1
  Ta  Ta48  1  0.626209  0.704455  0.347179  1
  Ta  Ta49  1  0.399634  0.353617  0.356756  1
  Ta  Ta50  1  0.393819  0.026649  0.328344  1
  Ta  Ta51  1  0.388000  0.695225  0.300412  1
  Ta  Ta52  1  0.834838  0.366182  0.359332  1
  Ta  Ta53  1  0.839330  0.043619  0.332465  1
  Ta  Ta54  1  0.789157  0.721413  0.305269  1
  Ta  Ta55  1  0.575751  0.571154  0.334035  1
  Ta  Ta56  1  0.560677  0.243665  0.303304  1
  Ta  Ta57  1  0.584557  0.897540  0.362663  1
  Ta  Ta58  1  0.622640  0.475512  0.322553  1
  Ta  Ta59  1  0.628591  0.150887  0.290484  1
  Ta  Ta60  1  0.644320  0.793581  0.350446  1
  Ta  Ta61  1  0.141201  0.406725  0.361081  1
  Ta  Ta62  1  0.146902  0.086487  0.331038  1
  Ta  Ta63  1  0.122289  0.750716  0.300474  1
  Ta  Ta64  1  0.090594  0.306905  0.353526  1
  Ta  Ta65  1  0.081845  0.980759  0.324299  1
  Ta  Ta66  1  0.046139  0.654884  0.296797  1
  Ta  Ta67  1  0.084256  0.341376  0.403303  1
  Ta  Ta68  1  0.084464  1.015148  0.373315  1
  Ta  Ta69  1  0.077320  0.668163  0.435189  1
  Ta  Ta70  1  0.580696  0.515208  0.375571  1
  Ta  Ta71  1  0.580424  0.169018  0.434197  1
  Ta  Ta72  1  0.582828  0.842301  0.404196  1
  Ta  Ta73  1  0.983445  0.422918  0.411358  1
  Ta  Ta74  1  -0.012534  0.097695  0.380248  1
  Ta  Ta75  1  0.984614  0.750338  0.442204  1
  Ta  Ta76  1  0.137229  0.563450  0.426662  1
  Ta  Ta77  1  0.142675  0.237508  0.394078  1
  Ta  Ta78  1  0.142199  0.890299  0.455345  1
  Ta  Ta79  1  0.824681  0.454117  0.367076  1
  Ta  Ta80  1  0.835179  0.112853  0.428728  1
  Ta  Ta81  1  0.835623  0.786682  0.398224  1
  Ta  Ta82  1  0.325611  0.573255  0.381306  1
  Ta  Ta83  1  0.331585  0.227206  0.439629  1
  Ta  Ta84  1  0.333325  0.900352  0.409726  1
  Ta  Ta85  1  0.831774  0.283777  0.398099  1
  Ta  Ta86  1  0.840092  0.955779  0.367995  1
  Ta  Ta87  1  0.827782  0.609926  0.430359  1
  Ta  Ta88  1  0.332990  0.399408  0.407857  1
  Ta  Ta89  1  0.337756  0.071340  0.377807  1
  Ta  Ta90  1  0.331752  0.724902  0.439597  1
  Ta  Ta91  1  0.641962  0.273444  0.443605  1
  Ta  Ta92  1  0.644417  0.946670  0.413701  1
  Ta  Ta93  1  0.635610  0.619965  0.385017  1
  Ta  Ta94  1  0.485234  0.413521  0.457515  1
  Ta  Ta95  1  0.487830  0.086868  0.426390  1
  Ta  Ta96  1  0.484951  0.760423  0.395819  1
  Ta  Ta97  1  0.318565  0.485933  0.420400  1
  Ta  Ta98  1  0.322158  0.158631  0.386596  1
  Ta  Ta99  1  0.321752  0.812443  0.448504  1
  Ta  Ta100  1  0.890456  0.504715  0.420994  1
  Ta  Ta101  1  0.890026  0.179645  0.388506  1
  Ta  Ta102  1  0.891874  0.832379  0.449919  1
  Ta  Ta103  1  0.140218  0.492612  0.375251  1
  Ta  Ta104  1  0.151590  0.149349  0.432670  1
  Ta  Ta105  1  0.152160  0.822188  0.402506  1
  Ta  Ta106  1  0.889656  0.559693  0.379661  1
  Ta  Ta107  1  0.895137  0.213552  0.438264  1
  Ta  Ta108  1  0.897181  0.886553  0.407805  1
  Ta  Ta109  1  0.397339  0.297873  0.399077  1
  Ta  Ta110  1  0.393190  0.969998  0.369318  1
  Ta  Ta111  1  0.391106  0.623407  0.431619  1
  Ta  Ta112  1  0.652353  0.363478  0.404270  1
  Ta  Ta113  1  0.650799  0.033751  0.375676  1
  Ta  Ta114  1  0.647389  0.687702  0.436974  1
  Ta  Ta115  1  0.392948  0.331713  0.448712  1
  Ta  Ta116  1  0.393346  1.004602  0.419016  1
  Ta  Ta117  1  0.385188  0.678167  0.389622  1
  Ta  Ta118  1  0.822332  0.351040  0.450164  1
  Ta  Ta119  1  0.824377  0.024754  0.421051  1
  Ta  Ta120  1  0.817011  0.698922  0.391065  1
  Ta  Ta121  1  0.575369  0.549966  0.425013  1
  Ta  Ta122  1  0.577396  0.223813  0.392505  1
  Ta  Ta123  1  0.578035  0.876625  0.453935  1
  Ta  Ta124  1  0.633678  0.450320  0.414725  1
  Ta  Ta125  1  0.639708  0.122416  0.382396  1
  Ta  Ta126  1  0.637807  0.775731  0.444302  1
  Ta  Ta127  1  0.138503  0.388103  0.454257  1
  Ta  Ta128  1  0.140229  0.061683  0.423788  1
  Ta  Ta129  1  0.134154  0.735007  0.393427  1
  Ta  Ta130  1  0.078552  0.286938  0.445147  1
  Ta  Ta131  1  0.079602  0.960082  0.415075  1
  Ta  Ta132  1  0.071641  0.633817  0.385842  1
  Ta  Ta133  1  0.080446  0.321286  0.494685  1
  Ta  Ta134  1  0.080931  0.994498  0.464719  1
  Ta  Ta135  1  0.079200  0.647645  0.526632  1
  Ta  Ta136  1  0.579115  0.495213  0.466767  1
  Ta  Ta137  1  0.580553  0.148624  0.525760  1
  Ta  Ta138  1  0.579246  0.822181  0.495826  1
  Ta  Ta139  1  0.985992  0.403126  0.503467  1
  Ta  Ta140  1  -0.013095  0.076717  0.472311  1
  Ta  Ta141  1  0.984784  0.729782  0.534212  1
  Ta  Ta142  1  0.140811  0.543167  0.517653  1
  Ta  Ta143  1  0.142302  0.216944  0.485316  1
  Ta  Ta144  1  0.139835  0.870091  0.546861  1
  Ta  Ta145  1  0.832005  0.438377  0.460496  1
  Ta  Ta146  1  0.834163  0.092060  0.520817  1
  Ta  Ta147  1  0.832875  0.765779  0.490597  1
  Ta  Ta148  1  0.329053  0.553326  0.472070  1
  Ta  Ta149  1  0.331044  0.206759  0.530932  1
  Ta  Ta150  1  0.329816  0.880186  0.501155  1
  Ta  Ta151  1  0.831105  0.263196  0.489271  1
  Ta  Ta152  1  0.831434  0.936408  0.459425  1
  Ta  Ta153  1  0.829801  0.589504  0.521500  1
  Ta  Ta154  1  0.334243  0.377564  0.500281  1
  Ta  Ta155  1  0.335051  0.050888  0.469857  1
  Ta  Ta156  1  0.333014  0.704095  0.531777  1
  Ta  Ta157  1  0.642118  0.253020  0.534871  1
  Ta  Ta158  1  0.641355  0.926339  0.505134  1
  Ta  Ta159  1  0.639743  0.599676  0.475969  1
  Ta  Ta160  1  0.486956  0.392753  0.549470  1
  Ta  Ta161  1  0.486105  0.066430  0.518372  1
  Ta  Ta162  1  0.484876  0.740064  0.488112  1
  Ta  Ta163  1  0.320848  0.464736  0.511235  1
  Ta  Ta164  1  0.322046  0.138682  0.478363  1
  Ta  Ta165  1  0.320040  0.791980  0.539809  1
  Ta  Ta166  1  0.891614  0.484981  0.512359  1
  Ta  Ta167  1  0.892737  0.158844  0.480053  1
  Ta  Ta168  1  0.890473  0.812013  0.541609  1
  Ta  Ta169  1  0.148215  0.475104  0.465775  1
  Ta  Ta170  1  0.150829  0.128613  0.524120  1
  Ta  Ta171  1  0.149545  0.802192  0.494092  1
  Ta  Ta172  1  0.892623  0.539671  0.470558  1
  Ta  Ta173  1  0.895330  0.193125  0.529641  1
  Ta  Ta174  1  0.894167  0.866552  0.499666  1
  Ta  Ta175  1  0.395442  0.276871  0.490618  1
  Ta  Ta176  1  0.395712  0.950035  0.460835  1
  Ta  Ta177  1  0.394065  0.603120  0.522904  1
  Ta  Ta178  1  0.651405  0.341584  0.495859  1
  Ta  Ta179  1  0.651337  1.014475  0.466501  1
  Ta  Ta180  1  0.649898  0.667797  0.528370  1
  Ta  Ta181  1  0.392393  0.311066  0.540243  1
  Ta  Ta182  1  0.391886  0.984337  0.510489  1
  Ta  Ta183  1  0.390342  0.657833  0.481004  1
  Ta  Ta184  1  0.822347  0.331308  0.541601  1
  Ta  Ta185  1  0.821561  1.004337  0.512217  1
  Ta  Ta186  1  0.819992  0.677882  0.482549  1
  Ta  Ta187  1  0.576742  0.529532  0.516286  1
  Ta  Ta188  1  0.577875  0.203301  0.483876  1
  Ta  Ta189  1  0.575524  0.856454  0.545462  1
  Ta  Ta190  1  0.637711  0.428757  0.506671  1
  Ta  Ta191  1  0.638889  0.102353  0.474814  1
  Ta  Ta192  1  0.636500  0.755644  0.536537  1
  Ta  Ta193  1  0.139313  0.367708  0.546399  1
  Ta  Ta194  1  0.138257  0.040741  0.515854  1
  Ta  Ta195  1  0.136768  0.714405  0.485786  1
  Ta  Ta196  1  0.078076  0.266714  0.536546  1
  Ta  Ta197  1  0.076966  0.939963  0.506647  1
  Ta  Ta198  1  0.075641  0.613302  0.477123  1
  Ta  Ta199  1  0.078597  0.301490  0.586338  1
  Ta  Ta200  1  0.078963  0.974091  0.556412  1
  Ta  Ta201  1  0.084030  0.627044  0.618116  1
  Ta  Ta202  1  0.579821  0.474633  0.558161  1
  Ta  Ta203  1  0.583397  0.127942  0.617060  1
  Ta  Ta204  1  0.578513  0.801881  0.587297  1
  Ta  Ta205  1  -0.011651  0.383314  0.595537  1
  Ta  Ta206  1  0.985806  0.056084  0.564316  1
  Ta  Ta207  1  0.985785  0.708927  0.626304  1
  Ta  Ta208  1  0.143243  0.522791  0.608770  1
  Ta  Ta209  1  0.141659  0.196481  0.576534  1
  Ta  Ta210  1  0.131865  0.850636  0.638291  1
  Ta  Ta211  1  0.834446  0.418475  0.552579  1
  Ta  Ta212  1  0.834579  0.070969  0.613103  1
  Ta  Ta213  1  0.831783  0.744718  0.582676  1
  Ta  Ta214  1  0.331194  0.532978  0.563192  1
  Ta  Ta215  1  0.332335  0.186206  0.621874  1
  Ta  Ta216  1  0.327078  0.859764  0.592566  1
  Ta  Ta217  1  0.832047  0.242770  0.580391  1
  Ta  Ta218  1  0.828862  0.916188  0.550951  1
  Ta  Ta219  1  0.832356  0.569102  0.612611  1
  Ta  Ta220  1  0.336556  0.356066  0.592056  1
  Ta  Ta221  1  0.332866  0.030643  0.562083  1
  Ta  Ta222  1  0.334255  0.684041  0.624240  1
  Ta  Ta223  1  0.643033  0.233066  0.625844  1
  Ta  Ta224  1  0.637757  0.906037  0.596556  1
  Ta  Ta225  1  0.641538  0.579298  0.567162  1
  Ta  Ta226  1  0.486203  0.372066  0.641795  1
  Ta  Ta227  1  0.484508  0.045770  0.610660  1
  Ta  Ta228  1  0.484732  0.719636  0.580112  1
  Ta  Ta229  1  0.321019  0.443149  0.602834  1
  Ta  Ta230  1  0.322382  0.118623  0.569720  1
  Ta  Ta231  1  0.321253  0.772562  0.630644  1
  Ta  Ta232  1  0.891337  0.465047  0.603719  1
  Ta  Ta233  1  0.892367  0.138233  0.571507  1
  Ta  Ta234  1  0.887825  0.791382  0.633054  1
  Ta  Ta235  1  0.150967  0.455038  0.556984  1
  Ta  Ta236  1  0.150863  0.107614  0.615446  1
  Ta  Ta237  1  0.147340  0.781894  0.585282  1
  Ta  Ta238  1  0.894722  0.519465  0.561804  1
  Ta  Ta239  1  0.895829  0.172401  0.620954  1
  Ta  Ta240  1  0.891766  0.846348  0.591231  1
  Ta  Ta241  1  0.394297  0.256343  0.581971  1
  Ta  Ta242  1  0.393125  0.929861  0.552352  1
  Ta  Ta243  1  0.397235  0.582907  0.614199  1
  Ta  Ta244  1  0.651846  0.320015  0.587067  1
  Ta  Ta245  1  0.649307  0.994137  0.557846  1
  Ta  Ta246  1  0.652005  0.648002  0.620040  1
  Ta  Ta247  1  0.387851  0.290827  0.631464  1
  Ta  Ta248  1  0.387650  0.963998  0.602121  1
  Ta  Ta249  1  0.392397  0.637515  0.572486  1
  Ta  Ta250  1  0.822220  0.315184  0.633448  1
  Ta  Ta251  1  0.818795  0.983953  0.603791  1
  Ta  Ta252  1  0.821730  0.657054  0.573954  1
  Ta  Ta253  1  0.577891  0.508865  0.607589  1
  Ta  Ta254  1  0.578387  0.182945  0.575249  1
  Ta  Ta255  1  0.578253  0.836332  0.636983  1
  Ta  Ta256  1  0.640639  0.407016  0.598866  1
  Ta  Ta257  1  0.638115  0.081573  0.566987  1
  Ta  Ta258  1  0.635018  0.735232  0.628692  1
  Ta  Ta259  1  0.143838  0.351650  0.639805  1
  Ta  Ta260  1  0.135076  0.019816  0.608282  1
  Ta  Ta261  1  0.137752  0.693825  0.577888  1
  Ta  Ta262  1  0.076725  0.246551  0.627559  1
  Ta  Ta263  1  0.074016  0.919814  0.598462  1
  Ta  Ta264  1  0.078197  0.592940  0.568440  1
  Ta  Ta265  1  0.073941  0.281067  0.676874  1
  Ta  Ta266  1  0.077690  0.954083  0.648766  1
  Ta  Ta267  1  0.079271  0.602427  0.706994  1
  Ta  Ta268  1  0.574884  0.453450  0.649634  1
  Ta  Ta269  1  0.579019  0.109773  0.706342  1
  Ta  Ta270  1  0.579213  0.779987  0.678134  1
  Ta  Ta271  1  0.973113  0.360976  0.686819  1
  Ta  Ta272  1  0.984894  0.035022  0.657308  1
  Ta  Ta273  1  0.986175  0.685714  0.717080  1
  Ta  Ta274  1  0.155441  0.503974  0.697412  1
  Ta  Ta275  1  0.139280  0.174882  0.667094  1
  Ta  Ta276  1  0.164038  0.825482  0.722568  1
  Ta  Ta277  1  0.839499  0.402173  0.645122  1
  Ta  Ta278  1  0.845434  0.054381  0.706037  1
  Ta  Ta279  1  0.826920  0.720319  0.675569  1
  Ta  Ta280  1  0.338945  0.513834  0.654018  1
  Ta  Ta281  1  0.324043  0.168033  0.710227  1
  Ta  Ta282  1  0.333697  0.839874  0.680579  1
  Ta  Ta283  1  0.837365  0.221676  0.671163  1
  Ta  Ta284  1  0.826025  0.897301  0.642546  1
  Ta  Ta285  1  0.822222  0.544548  0.700766  1
  Ta  Ta286  1  0.341621  0.329551  0.683559  1
  Ta  Ta287  1  0.325720  1.012010  0.656095  1
  Ta  Ta288  1  0.346763  0.656118  0.716220  1
  Ta  Ta289  1  0.656755  0.208601  0.713948  1
  Ta  Ta290  1  0.643796  0.883652  0.686436  1
  Ta  Ta291  1  0.640515  0.559190  0.658191  1
  Ta  Ta292  1  0.504369  0.344829  0.728692  1
  Ta  Ta293  1  0.484669  0.024724  0.701671  1
  Ta  Ta294  1  0.486103  0.697958  0.672897  1
  Ta  Ta295  1  0.295416  0.412602  0.692998  1
  Ta  Ta296  1  0.340295  0.100988  0.659334  1
  Ta  Ta297  1  0.298217  0.745309  0.715852  1
  Ta  Ta298  1  0.894466  0.446366  0.693462  1
  Ta  Ta299  1  0.891710  0.116629  0.662944  1
  Ta  Ta300  1  0.901388  0.769051  0.719994  1
  Ta  Ta301  1  0.149898  0.439872  0.649142  1
  Ta  Ta302  1  0.178293  0.083677  0.701303  1
  Ta  Ta303  1  0.134172  0.763061  0.674071  1
  Ta  Ta304  1  0.888653  0.499967  0.653288  1
  Ta  Ta305  1  0.918181  0.149518  0.709959  1
  Ta  Ta306  1  0.890523  0.825592  0.682086  1
  Ta  Ta307  1  0.389883  0.233609  0.672433  1
  Ta  Ta308  1  0.386974  0.908757  0.643660  1
  Ta  Ta309  1  0.417136  0.563491  0.703527  1
  Ta  Ta310  1  0.645805  0.295808  0.676603  1
  Ta  Ta311  1  0.631398  0.972302  0.647617  1
  Ta  Ta312  1  0.678982  0.630452  0.706662  1
  Ta  Ta313  1  0.398589  0.264597  0.720254  1
  Ta  Ta314  1  0.391072  0.940872  0.691507  1
  Ta  Ta315  1  0.392568  0.616944  0.664143  1
  Ta  Ta316  1  0.804580  0.293818  0.719787  1
  Ta  Ta317  1  0.792182  0.968341  0.691099  1
  Ta  Ta318  1  0.840917  0.633366  0.663394  1
  Ta  Ta319  1  0.557290  0.483700  0.696773  1
  Ta  Ta320  1  0.586948  0.162956  0.666427  1
  Ta  Ta321  1  0.563382  0.813798  0.723883  1
  Ta  Ta322  1  0.642034  0.385530  0.689371  1
  Ta  Ta323  1  0.643469  0.058234  0.660480  1
  Ta  Ta324  1  0.627543  0.717218  0.721346  1
  Ta  Ta325  1  0.147367  0.324559  0.726460  1
  Ta  Ta326  1  0.125044  0.994249  0.700720  1
  Ta  Ta327  1  0.144362  0.674039  0.671907  1
  Ta  Ta328  1  0.065293  0.228854  0.716365  1
  Ta  Ta329  1  0.062195  0.900084  0.689064  1
  Ta  Ta330  1  0.085438  0.570600  0.659444  1
