# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72076183
_cell_length_b   25.81402644
_cell_length_c   58.25843660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   7099.48207155
_cell_formula_units_Z   198
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  1.007778  0.920133  0.270401  1
  Ta  Ta2  1  1.007778  0.658225  0.323873  1
  Ta  Ta3  1  1.007778  0.387117  0.380140  1
  Ta  Ta4  1  0.507778  0.893764  0.378247  1
  Ta  Ta5  1  0.507778  0.399258  0.303403  1
  Ta  Ta6  1  0.507778  0.160901  0.320323  1
  Ta  Ta7  1  1.007778  0.050801  0.391802  1
  Ta  Ta8  1  1.007778  0.583494  0.277655  1
  Ta  Ta9  1  1.007778  0.315261  0.332866  1
  Ta  Ta10  1  1.007778  -0.005203  0.317131  1
  Ta  Ta11  1  1.007778  0.725498  0.376124  1
  Ta  Ta12  1  1.007778  0.263236  0.263089  1
  Ta  Ta13  1  0.507778  0.985590  0.405242  1
  Ta  Ta14  1  0.507778  0.525943  0.290307  1
  Ta  Ta15  1  0.507778  0.249459  0.347996  1
  Ta  Ta16  1  0.507778  0.785691  0.372754  1
  Ta  Ta17  1  0.507778  0.324383  0.260731  1
  Ta  Ta18  1  0.507778  0.053552  0.315518  1
  Ta  Ta19  1  1.007778  0.888034  0.313659  1
  Ta  Ta20  1  1.007778  0.619772  0.369239  1
  Ta  Ta21  1  1.007778  0.151771  0.258060  1
  Ta  Ta22  1  1.007778  0.690971  0.279750  1
  Ta  Ta23  1  1.007778  0.423696  0.335550  1
  Ta  Ta24  1  1.007778  0.158647  0.396977  1
  Ta  Ta25  1  0.507778  0.820643  0.327463  1
  Ta  Ta26  1  0.507778  0.547478  0.390451  1
  Ta  Ta27  1  0.507778  0.092666  0.272477  1
  Ta  Ta28  1  0.507778  0.734089  0.297579  1
  Ta  Ta29  1  0.507778  0.481762  0.334109  1
  Ta  Ta30  1  0.507778  0.212433  0.392282  1
  Ta  Ta31  1  1.007778  0.814551  0.403011  1
  Ta  Ta32  1  1.007778  0.351599  0.289030  1
  Ta  Ta33  1  1.007778  0.082663  0.345951  1
  Ta  Ta34  1  1.007778  0.959828  0.363057  1
  Ta  Ta35  1  1.007778  0.688057  0.422357  1
  Ta  Ta36  1  1.007778  0.227040  0.305753  1
  Ta  Ta37  1  0.507778  0.638381  0.259765  1
  Ta  Ta38  1  0.507778  0.287674  0.303193  1
  Ta  Ta39  1  0.507778  0.122610  0.367116  1
  Ta  Ta40  1  0.507778  0.016786  0.360000  1
  Ta  Ta41  1  0.507778  0.747104  0.417139  1
  Ta  Ta42  1  0.507778  0.201475  0.275020  1
  Ta  Ta43  1  1.007778  0.762846  0.329867  1
  Ta  Ta44  1  1.007778  0.509501  0.366894  1
  Ta  Ta45  1  1.007778  0.034241  0.273987  1
  Ta  Ta46  1  1.007778  0.801980  0.286565  1
  Ta  Ta47  1  1.007778  0.549277  0.322192  1
  Ta  Ta48  1  1.007778  0.278728  0.378372  1
  Ta  Ta49  1  0.507778  0.697200  0.345607  1
  Ta  Ta50  1  0.507778  0.443616  0.380296  1
  Ta  Ta51  1  0.507778  0.969519  0.286350  1
  Ta  Ta52  1  0.507778  0.860237  0.284447  1
  Ta  Ta53  1  0.507778  0.585020  0.345999  1
  Ta  Ta54  1  0.507778  0.318838  0.398343  1
  Ta  Ta55  1  1.007778  0.851413  0.358078  1
  Ta  Ta56  1  1.007778  0.581613  0.414654  1
  Ta  Ta57  1  1.007778  0.120672  0.301443  1
  Ta  Ta58  1  1.007778  0.922298  0.407993  1
  Ta  Ta59  1  1.007778  0.466047  0.292783  1
  Ta  Ta60  1  1.007778  0.189424  0.351131  1
  Ta  Ta61  1  0.507778  0.095405  0.416232  1
  Ta  Ta62  1  0.507778  0.625818  0.303519  1
  Ta  Ta63  1  0.507778  0.358175  0.350241  1
  Ta  Ta64  1  0.507778  0.929117  0.331625  1
  Ta  Ta65  1  0.507778  0.657400  0.391690  1
  Ta  Ta66  1  0.507778  0.412499  0.425378  1
  Ta  Ta67  1  1.007778  0.122203  0.440773  1
  Ta  Ta68  1  1.007778  0.843224  0.496147  1
  Ta  Ta69  1  1.007778  0.563456  0.553511  1
  Ta  Ta70  1  0.507778  0.068434  0.553302  1
  Ta  Ta71  1  0.507778  0.618842  0.438456  1
  Ta  Ta72  1  0.507778  0.348076  0.495959  1
  Ta  Ta73  1  1.007778  0.217346  0.559444  1
  Ta  Ta74  1  1.007778  0.779354  0.448203  1
  Ta  Ta75  1  1.007778  0.492216  0.504137  1
  Ta  Ta76  1  1.007778  0.190408  0.478513  1
  Ta  Ta77  1  1.007778  0.910808  0.533485  1
  Ta  Ta78  1  1.007778  0.470612  0.413438  1
  Ta  Ta79  1  0.507778  0.165187  0.570428  1
  Ta  Ta80  1  0.507778  0.712409  0.461262  1
  Ta  Ta81  1  0.507778  0.441014  0.520370  1
  Ta  Ta82  1  0.507778  0.967823  0.538598  1
  Ta  Ta83  1  0.507778  0.513709  0.433914  1
  Ta  Ta84  1  0.507778  0.246718  0.485236  1
  Ta  Ta85  1  1.007778  0.079632  0.483847  1
  Ta  Ta86  1  1.007778  0.800079  0.539218  1
  Ta  Ta87  1  1.007778  0.352685  0.423152  1
  Ta  Ta88  1  1.007778  0.886661  0.453484  1
  Ta  Ta89  1  1.007778  0.603034  0.510318  1
  Ta  Ta90  1  1.007778  0.327001  0.565747  1
  Ta  Ta91  1  0.507778  0.051812  0.506355  1
  Ta  Ta92  1  0.507778  0.770952  0.561382  1
  Ta  Ta93  1  0.507778  0.321886  0.448262  1
  Ta  Ta94  1  0.507778  0.938711  0.447372  1
  Ta  Ta95  1  0.507778  0.655671  0.501398  1
  Ta  Ta96  1  0.507778  0.377535  0.557172  1
  Ta  Ta97  1  1.007778  0.979219  0.569973  1
  Ta  Ta98  1  1.007778  0.529233  0.459060  1
  Ta  Ta99  1  1.007778  0.258827  0.515631  1
  Ta  Ta100  1  1.007778  0.129609  0.528506  1
  Ta  Ta101  1  1.007778  0.848850  0.583679  1
  Ta  Ta102  1  1.007778  0.406800  0.464237  1
  Ta  Ta103  1  0.507778  0.851803  0.423202  1
  Ta  Ta104  1  0.507778  0.559955  0.482542  1
  Ta  Ta105  1  0.507778  0.281235  0.538259  1
  Ta  Ta106  1  0.507778  0.176613  0.520452  1
  Ta  Ta107  1  0.507778  0.895753  0.573287  1
  Ta  Ta108  1  0.507778  0.454668  0.474296  1
  Ta  Ta109  1  1.007778  0.973685  0.484775  1
  Ta  Ta110  1  1.007778  0.693257  0.539023  1
  Ta  Ta111  1  1.007778  0.248443  0.426613  1
  Ta  Ta112  1  1.007778  0.010686  0.436590  1
  Ta  Ta113  1  1.007778  0.730383  0.491623  1
  Ta  Ta114  1  1.007778  0.453029  0.550174  1
  Ta  Ta115  1  0.507778  0.925721  0.493733  1
  Ta  Ta116  1  0.507778  0.648014  0.550157  1
  Ta  Ta117  1  0.507778  0.201976  0.439283  1
  Ta  Ta118  1  0.507778  0.036753  0.458982  1
  Ta  Ta119  1  0.507778  0.755259  0.514103  1
  Ta  Ta120  1  0.507778  0.475780  0.572766  1
  Ta  Ta121  1  1.007778  0.023604  0.528432  1
  Ta  Ta122  1  1.007778  0.741112  0.583434  1
  Ta  Ta123  1  1.007778  0.300340  0.471380  1
  Ta  Ta124  1  1.007778  0.090052  0.576646  1
  Ta  Ta125  1  1.007778  0.638093  0.465592  1
  Ta  Ta126  1  1.007778  0.369611  0.518835  1
  Ta  Ta127  1  0.507778  0.264721  0.586758  1
  Ta  Ta128  1  0.507778  0.819947  0.471533  1
  Ta  Ta129  1  0.507778  0.542383  0.530181  1
  Ta  Ta130  1  0.507778  0.134663  0.474176  1
  Ta  Ta131  1  0.507778  0.854387  0.527645  1
  Ta  Ta132  1  0.507778  0.575645  0.584261  1
  Ta  Ta133  1  1.007778  0.287127  0.609726  1
  Ta  Ta134  1  1.007778  0.009358  0.665025  1
  Ta  Ta135  1  1.007778  0.745734  0.723890  1
  Ta  Ta136  1  0.507778  0.227709  0.723544  1
  Ta  Ta137  1  0.507778  0.787312  0.608169  1
  Ta  Ta138  1  0.507778  0.512560  0.667208  1
  Ta  Ta139  1  1.007778  0.383307  0.728211  1
  Ta  Ta140  1  1.007778  0.941122  0.611836  1
  Ta  Ta141  1  1.007778  0.657766  0.670719  1
  Ta  Ta142  1  1.007778  0.354824  0.647073  1
  Ta  Ta143  1  1.007778  0.073261  0.702488  1
  Ta  Ta144  1  1.007778  0.631499  0.590040  1
  Ta  Ta145  1  0.507778  0.333014  0.733126  1
  Ta  Ta146  1  0.507778  0.887316  0.621877  1
  Ta  Ta147  1  0.507778  0.612140  0.682853  1
  Ta  Ta148  1  0.507778  0.129515  0.704821  1
  Ta  Ta149  1  0.507778  0.687154  0.596021  1
  Ta  Ta150  1  0.507778  0.411106  0.652503  1
  Ta  Ta151  1  1.007778  0.245107  0.653767  1
  Ta  Ta152  1  1.007778  0.950434  0.704159  1
  Ta  Ta153  1  1.007778  0.523020  0.597699  1
  Ta  Ta154  1  1.007778  0.050369  0.621751  1
  Ta  Ta155  1  1.007778  0.761938  0.675024  1
  Ta  Ta156  1  1.007778  0.492692  0.731542  1
  Ta  Ta157  1  0.507778  0.216013  0.675816  1
  Ta  Ta158  1  0.507778  0.921376  0.729833  1
  Ta  Ta159  1  0.507778  0.493482  0.619666  1
  Ta  Ta160  1  0.507778  0.101606  0.610930  1
  Ta  Ta161  1  0.507778  0.821450  0.661060  1
  Ta  Ta162  1  0.507778  0.552055  0.722360  1
  Ta  Ta163  1  1.007778  0.139932  0.740319  1
  Ta  Ta164  1  1.007778  0.697596  0.626871  1
  Ta  Ta165  1  1.007778  0.421373  0.685084  1
  Ta  Ta166  1  1.007778  0.294209  0.698285  1
  Ta  Ta167  1  1.007778  0.001836  0.741395  1
  Ta  Ta168  1  1.007778  0.571538  0.642167  1
  Ta  Ta169  1  0.507778  0.002491  0.592824  1
  Ta  Ta170  1  0.507778  0.718302  0.649500  1
  Ta  Ta171  1  0.507778  0.446495  0.706164  1
  Ta  Ta172  1  0.507778  0.337969  0.686497  1
  Ta  Ta173  1  0.507778  0.061301  0.740805  1
  Ta  Ta174  1  0.507778  0.614428  0.630805  1
  Ta  Ta175  1  1.007778  0.138129  0.655316  1
  Ta  Ta176  1  1.007778  0.852835  0.694621  1
  Ta  Ta177  1  1.007778  0.415707  0.597766  1
  Ta  Ta178  1  1.007778  0.176944  0.605323  1
  Ta  Ta179  1  1.007778  0.903227  0.654028  1
  Ta  Ta180  1  1.007778  0.628422  0.716585  1
  Ta  Ta181  1  0.507778  0.086805  0.660804  1
  Ta  Ta182  1  0.507778  0.817785  0.708492  1
  Ta  Ta183  1  0.507778  0.369002  0.606090  1
  Ta  Ta184  1  0.507778  0.197621  0.628530  1
  Ta  Ta185  1  0.507778  0.920389  0.678621  1
  Ta  Ta186  1  0.507778  0.668524  0.737308  1
  Ta  Ta187  1  1.007778  0.189128  0.699900  1
  Ta  Ta188  1  1.007778  0.859342  0.740574  1
  Ta  Ta189  1  1.007778  0.466518  0.642664  1
  Ta  Ta190  1  1.007778  0.264079  0.743506  1
  Ta  Ta191  1  1.007778  0.809423  0.631257  1
  Ta  Ta192  1  1.007778  0.536981  0.689772  1
  Ta  Ta193  1  0.507778  0.442520  0.751191  1
  Ta  Ta194  1  0.507778  0.987757  0.640168  1
  Ta  Ta195  1  0.507778  0.714331  0.697609  1
  Ta  Ta196  1  0.507778  0.298069  0.640572  1
  Ta  Ta197  1  0.507778  0.013687  0.699775  1
  Ta  Ta198  1  0.507778  0.783643  0.749265  1
