# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.92927342
_cell_length_b   13.40878595
_cell_length_c   47.07036706
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.82774318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7067.39553396
_cell_formula_units_Z   176
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  0.238729  0.444531  0.278949  1
  Ta  Ta2  1  0.602806  0.353687  0.332459  1
  Ta  Ta3  1  0.428639  0.920070  0.305548  1
  Ta  Ta4  1  0.775373  0.801713  0.357657  1
  Ta  Ta5  1  0.012698  0.011335  0.364843  1
  Ta  Ta6  1  0.664531  0.139457  0.307044  1
  Ta  Ta7  1  0.196821  0.694459  0.293392  1
  Ta  Ta8  1  0.538776  0.591599  0.351307  1
  Ta  Ta9  1  0.441286  0.123133  0.297448  1
  Ta  Ta10  1  0.795084  0.997703  0.350416  1
  Ta  Ta11  1  0.416046  0.723834  0.307164  1
  Ta  Ta12  1  0.760200  0.603281  0.364823  1
  Ta  Ta13  1  0.119252  0.560416  0.320951  1
  Ta  Ta14  1  0.474870  0.445797  0.379295  1
  Ta  Ta15  1  0.078288  0.162294  0.339460  1
  Ta  Ta16  1  0.753137  0.298354  0.287261  1
  Ta  Ta17  1  0.234820  0.526300  0.373347  1
  Ta  Ta18  1  0.876161  0.602831  0.314868  1
  Ta  Ta19  1  0.319109  0.115445  0.344164  1
  Ta  Ta20  1  0.987374  0.211242  0.286316  1
  Ta  Ta21  1  0.156589  0.896146  0.310914  1
  Ta  Ta22  1  0.508356  0.794182  0.365143  1
  Ta  Ta23  1  0.054630  0.803650  0.352172  1
  Ta  Ta24  1  0.699092  0.930556  0.298606  1
  Ta  Ta25  1  0.281519  0.922940  0.356457  1
  Ta  Ta26  1  0.927592  0.033033  0.304535  1
  Ta  Ta27  1  0.285451  0.696433  0.353137  1
  Ta  Ta28  1  0.925763  0.791577  0.307913  1
  Ta  Ta29  1  0.047232  0.423029  0.353623  1
  Ta  Ta30  1  0.679698  0.518963  0.305919  1
  Ta  Ta31  1  0.179304  0.290522  0.307812  1
  Ta  Ta32  1  0.527487  0.188529  0.358919  1
  Ta  Ta33  1  0.211578  0.273346  0.383262  1
  Ta  Ta34  1  0.874360  0.370064  0.331080  1
  Ta  Ta35  1  0.333913  0.348984  0.339413  1
  Ta  Ta36  1  0.971863  0.423720  0.284919  1
  Ta  Ta37  1  0.985496  0.637395  0.369859  1
  Ta  Ta38  1  0.647717  0.746766  0.313628  1
  Ta  Ta39  1  0.211184  0.066535  0.293440  1
  Ta  Ta40  1  0.561489  0.971092  0.346670  1
  Ta  Ta41  1  0.465941  0.312910  0.289985  1
  Ta  Ta42  1  0.818522  0.192500  0.345040  1
  Ta  Ta43  1  0.390136  0.520507  0.314439  1
  Ta  Ta44  1  0.724779  0.410131  0.376797  1
  Ta  Ta45  1  0.954186  0.241785  0.388373  1
  Ta  Ta46  1  0.309461  0.128177  0.443735  1
  Ta  Ta47  1  0.127961  0.688075  0.413886  1
  Ta  Ta48  1  0.481324  0.572956  0.470923  1
  Ta  Ta49  1  0.726321  0.771390  0.472581  1
  Ta  Ta50  1  0.370869  0.895955  0.419134  1
  Ta  Ta51  1  0.911825  0.458487  0.402719  1
  Ta  Ta52  1  0.265180  0.346685  0.460685  1
  Ta  Ta53  1  0.153792  0.881514  0.405614  1
  Ta  Ta54  1  0.505122  0.766509  0.460689  1
  Ta  Ta55  1  0.118642  0.487668  0.419980  1
  Ta  Ta56  1  0.464245  0.375636  0.479830  1
  Ta  Ta57  1  0.829156  0.329396  0.436421  1
  Ta  Ta58  1  0.184267  0.212690  0.492078  1
  Ta  Ta59  1  0.783844  0.935271  0.450332  1
  Ta  Ta60  1  0.431694  0.053533  0.394954  1
  Ta  Ta61  1  0.942002  0.290400  0.488152  1
  Ta  Ta62  1  0.589524  0.398066  0.432670  1
  Ta  Ta63  1  0.026915  0.886689  0.452996  1
  Ta  Ta64  1  0.673331  0.007782  0.399083  1
  Ta  Ta65  1  0.856567  0.668748  0.421528  1
  Ta  Ta66  1  0.213160  0.558495  0.478766  1
  Ta  Ta67  1  0.755385  0.552584  0.461705  1
  Ta  Ta68  1  0.389647  0.691147  0.404475  1
  Ta  Ta69  1  0.990503  0.694725  0.466295  1
  Ta  Ta70  1  0.635562  0.815733  0.410523  1
  Ta  Ta71  1  0.990697  0.470286  0.468245  1
  Ta  Ta72  1  0.624224  0.586426  0.413258  1
  Ta  Ta73  1  0.735216  0.188970  0.470720  1
  Ta  Ta74  1  0.389840  0.309208  0.410044  1
  Ta  Ta75  1  0.880138  0.070770  0.415934  1
  Ta  Ta76  1  0.232757  0.956000  0.470199  1
  Ta  Ta77  1  0.926834  0.038321  0.492660  1
  Ta  Ta78  1  0.561157  0.159552  0.438710  1
  Ta  Ta79  1  0.036275  0.115441  0.451487  1
  Ta  Ta80  1  0.684371  0.226995  0.395930  1
  Ta  Ta81  1  0.691102  0.397200  0.488191  1
  Ta  Ta82  1  0.346187  0.519776  0.429142  1
  Ta  Ta83  1  0.909396  0.848978  0.402032  1
  Ta  Ta84  1  0.265307  0.735252  0.456990  1
  Ta  Ta85  1  0.170805  0.080418  0.400852  1
  Ta  Ta86  1  0.526635  0.964432  0.455477  1
  Ta  Ta87  1  0.088562  0.290921  0.433340  1
  Ta  Ta88  1  0.444939  0.176153  0.490053  1
  Ta  Ta89  1  0.661872  0.013554  0.498790  1
  Ta  Ta90  1  0.011632  0.903185  0.553303  1
  Ta  Ta91  1  0.837335  0.458545  0.526944  1
  Ta  Ta92  1  0.193157  0.345451  0.583889  1
  Ta  Ta93  1  0.405885  0.576471  0.594603  1
  Ta  Ta94  1  0.073901  0.666247  0.530317  1
  Ta  Ta95  1  0.600385  0.251247  0.523278  1
  Ta  Ta96  1  0.951573  0.137239  0.578199  1
  Ta  Ta97  1  0.857387  0.653218  0.516526  1
  Ta  Ta98  1  0.206214  0.543280  0.575142  1
  Ta  Ta99  1  0.820940  0.262055  0.535376  1
  Ta  Ta100  1  0.169910  0.150005  0.591969  1
  Ta  Ta101  1  0.536002  0.096488  0.547162  1
  Ta  Ta102  1  0.889724  0.981662  0.601931  1
  Ta  Ta103  1  0.489361  0.705260  0.561038  1
  Ta  Ta104  1  0.137149  0.821561  0.505037  1
  Ta  Ta105  1  0.648761  0.038296  0.598096  1
  Ta  Ta106  1  0.293646  0.153147  0.544246  1
  Ta  Ta107  1  0.731119  0.639238  0.563801  1
  Ta  Ta108  1  0.380482  0.763445  0.508593  1
  Ta  Ta109  1  0.564373  0.461044  0.537882  1
  Ta  Ta110  1  0.929681  0.342987  0.593191  1
  Ta  Ta111  1  0.456040  0.366384  0.577316  1
  Ta  Ta112  1  0.108886  0.454936  0.517354  1
  Ta  Ta113  1  0.697683  0.451141  0.583662  1
  Ta  Ta114  1  0.338096  0.574874  0.525427  1
  Ta  Ta115  1  0.684127  0.229983  0.584859  1
  Ta  Ta116  1  0.336558  0.342408  0.529771  1
  Ta  Ta117  1  0.441323  0.964133  0.581287  1
  Ta  Ta118  1  0.088383  0.077393  0.526453  1
  Ta  Ta119  1  0.587534  0.840127  0.525111  1
  Ta  Ta120  1  0.939180  0.727312  0.581497  1
  Ta  Ta121  1  0.635475  0.808486  0.600897  1
  Ta  Ta122  1  0.281253  0.922014  0.547223  1
  Ta  Ta123  1  0.748201  0.880727  0.559396  1
  Ta  Ta124  1  0.392048  0.995234  0.505190  1
  Ta  Ta125  1  0.410201  0.185096  0.595774  1
  Ta  Ta126  1  0.055707  0.289904  0.542465  1
  Ta  Ta127  1  0.620269  0.625006  0.511182  1
  Ta  Ta128  1  0.976503  0.512541  0.567207  1
  Ta  Ta129  1  0.878399  0.850222  0.509370  1
  Ta  Ta130  1  0.227835  0.742293  0.563304  1
  Ta  Ta131  1  0.795485  0.067028  0.542211  1
  Ta  Ta132  1  0.147435  0.953013  0.596982  1
  Ta  Ta133  1  0.364017  0.792665  0.609061  1
  Ta  Ta134  1  0.719262  0.682072  0.663412  1
  Ta  Ta135  1  0.543506  0.237203  0.639782  1
  Ta  Ta136  1  0.888120  0.118561  0.691962  1
  Ta  Ta137  1  0.138246  0.319187  0.698673  1
  Ta  Ta138  1  0.784741  0.445428  0.644260  1
  Ta  Ta139  1  0.308047  0.015795  0.632533  1
  Ta  Ta140  1  0.660722  0.896119  0.688717  1
  Ta  Ta141  1  0.558153  0.434220  0.632445  1
  Ta  Ta142  1  0.907860  0.311236  0.687963  1
  Ta  Ta143  1  0.526384  0.039556  0.645576  1
  Ta  Ta144  1  0.876979  0.912286  0.699421  1
  Ta  Ta145  1  0.244391  0.864282  0.659878  1
  Ta  Ta146  1  0.565216  0.743207  0.708228  1
  Ta  Ta147  1  0.187844  0.486677  0.679826  1
  Ta  Ta148  1  0.848134  0.594225  0.616264  1
  Ta  Ta149  1  0.330411  0.850714  0.711825  1
  Ta  Ta150  1  1.001733  0.921939  0.653033  1
  Ta  Ta151  1  0.436126  0.443673  0.682713  1
  Ta  Ta152  1  0.085862  0.515905  0.622866  1
  Ta  Ta153  1  0.271199  0.219945  0.646774  1
  Ta  Ta154  1  0.625286  0.107333  0.698465  1
  Ta  Ta155  1  0.170937  0.114187  0.687201  1
  Ta  Ta156  1  0.811701  0.242173  0.631622  1
  Ta  Ta157  1  0.397123  0.248523  0.689935  1
  Ta  Ta158  1  0.044481  0.339721  0.642912  1
  Ta  Ta159  1  0.408938  0.009381  0.692875  1
  Ta  Ta160  1  0.038833  0.112204  0.641076  1
  Ta  Ta161  1  0.134080  0.742391  0.689411  1
  Ta  Ta162  1  0.791930  0.851004  0.636354  1
  Ta  Ta163  1  0.270350  0.610152  0.643918  1
  Ta  Ta164  1  0.642576  0.520145  0.689671  1
  Ta  Ta165  1  0.352877  0.635646  0.709999  1
  Ta  Ta166  1  0.980750  0.691553  0.655261  1
  Ta  Ta167  1  0.448220  0.667339  0.663159  1
  Ta  Ta168  1  0.108181  0.762221  0.614410  1
  Ta  Ta169  1  0.091551  0.957935  0.705843  1
  Ta  Ta170  1  0.759580  0.067419  0.650108  1
  Ta  Ta171  1  0.324217  0.395947  0.630304  1
  Ta  Ta172  1  0.669535  0.295641  0.683055  1
  Ta  Ta173  1  0.599113  0.625102  0.618723  1
  Ta  Ta174  1  0.932874  0.513551  0.680740  1
  Ta  Ta175  1  0.503398  0.845026  0.651822  1
  Ta  Ta176  1  0.857308  0.720077  0.704694  1
