# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86724984
_cell_length_b   11.85571415
_cell_length_c   47.85218581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta162
_cell_volume   6405.92646177
_cell_formula_units_Z   162
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  0.829241  0.164151  0.291969  1
  Ta  Ta2  1  0.162575  0.830818  0.291969  1
  Ta  Ta3  1  0.076947  0.078485  0.321801  1
  Ta  Ta4  1  0.454606  0.122751  0.307868  1
  Ta  Ta5  1  0.787939  0.789418  0.307868  1
  Ta  Ta6  1  0.121273  0.456084  0.307868  1
  Ta  Ta7  1  0.495908  0.497485  0.291969  1
  Ta  Ta8  1  0.410280  0.745151  0.321801  1
  Ta  Ta9  1  0.743614  0.411818  0.321801  1
  Ta  Ta10  1  0.681912  0.016770  0.284282  1
  Ta  Ta11  1  0.015245  0.683437  0.284282  1
  Ta  Ta12  1  0.930771  0.932303  0.313755  1
  Ta  Ta13  1  0.309176  0.977415  0.299821  1
  Ta  Ta14  1  0.642509  0.644081  0.299821  1
  Ta  Ta15  1  0.975842  0.310748  0.299821  1
  Ta  Ta16  1  0.348579  0.350104  0.284282  1
  Ta  Ta17  1  0.264104  0.598970  0.313755  1
  Ta  Ta18  1  0.597437  0.265636  0.313755  1
  Ta  Ta19  1  0.707854  0.042674  0.339359  1
  Ta  Ta20  1  0.041188  0.709340  0.339359  1
  Ta  Ta21  1  0.962239  0.963675  0.371942  1
  Ta  Ta22  1  0.334996  0.003116  0.355349  1
  Ta  Ta23  1  0.668329  0.669783  0.355349  1
  Ta  Ta24  1  0.001662  0.336450  0.355349  1
  Ta  Ta25  1  0.374521  0.376007  0.339359  1
  Ta  Ta26  1  0.295572  0.630342  0.371942  1
  Ta  Ta27  1  0.628905  0.297008  0.371942  1
  Ta  Ta28  1  0.559287  0.894105  0.328787  1
  Ta  Ta29  1  0.892620  0.560772  0.328787  1
  Ta  Ta30  1  0.814908  0.816343  0.363948  1
  Ta  Ta31  1  0.188277  0.856422  0.347301  1
  Ta  Ta32  1  0.521610  0.523089  0.347301  1
  Ta  Ta33  1  0.854943  0.189755  0.347301  1
  Ta  Ta34  1  0.225953  0.227439  0.328787  1
  Ta  Ta35  1  0.148242  0.483010  0.363948  1
  Ta  Ta36  1  0.481575  0.149677  0.363948  1
  Ta  Ta37  1  0.589268  0.924002  0.388471  1
  Ta  Ta38  1  0.922601  0.590669  0.388471  1
  Ta  Ta39  1  0.844425  0.845773  0.422637  1
  Ta  Ta40  1  0.217316  0.885363  0.405750  1
  Ta  Ta41  1  0.550650  0.552030  0.405750  1
  Ta  Ta42  1  0.883983  0.218696  0.405750  1
  Ta  Ta43  1  0.255934  0.257335  0.388471  1
  Ta  Ta44  1  0.177759  0.512440  0.422637  1
  Ta  Ta45  1  0.511092  0.179106  0.422637  1
  Ta  Ta46  1  0.442770  0.777522  0.379982  1
  Ta  Ta47  1  0.776103  0.444189  0.379982  1
  Ta  Ta48  1  0.697516  0.698880  0.414055  1
  Ta  Ta49  1  0.070032  0.738089  0.397567  1
  Ta  Ta50  1  0.403365  0.404756  0.397567  1
  Ta  Ta51  1  0.736698  0.071422  0.397567  1
  Ta  Ta52  1  0.109437  0.110855  0.379982  1
  Ta  Ta53  1  0.030850  0.365546  0.414055  1
  Ta  Ta54  1  0.364183  0.032213  0.414055  1
  Ta  Ta55  1  0.471910  0.806570  0.439204  1
  Ta  Ta56  1  0.805243  0.473237  0.439204  1
  Ta  Ta57  1  0.726728  0.728001  0.472940  1
  Ta  Ta58  1  0.099329  0.767294  0.456228  1
  Ta  Ta59  1  0.432662  0.433961  0.456228  1
  Ta  Ta60  1  0.765995  0.100628  0.456228  1
  Ta  Ta61  1  0.138577  0.139903  0.439204  1
  Ta  Ta62  1  0.060061  0.394667  0.472940  1
  Ta  Ta63  1  0.393395  0.061334  0.472940  1
  Ta  Ta64  1  0.324930  0.659604  0.430924  1
  Ta  Ta65  1  0.658264  0.326270  0.430924  1
  Ta  Ta66  1  0.579757  0.581045  0.464530  1
  Ta  Ta67  1  0.952163  0.620140  0.447693  1
  Ta  Ta68  1  0.285496  0.286806  0.447693  1
  Ta  Ta69  1  0.618829  0.953473  0.447693  1
  Ta  Ta70  1  0.991597  0.992937  0.430924  1
  Ta  Ta71  1  0.913091  0.247712  0.464530  1
  Ta  Ta72  1  0.246424  0.914378  0.464530  1
  Ta  Ta73  1  0.354163  0.688744  0.489752  1
  Ta  Ta74  1  0.687496  0.355411  0.489752  1
  Ta  Ta75  1  0.609003  0.610200  0.523355  1
  Ta  Ta76  1  0.981536  0.649423  0.506620  1
  Ta  Ta77  1  0.314869  0.316089  0.506620  1
  Ta  Ta78  1  0.648203  0.982756  0.506620  1
  Ta  Ta79  1  0.020829  0.022077  0.489752  1
  Ta  Ta80  1  0.942337  0.276867  0.523355  1
  Ta  Ta81  1  0.275670  0.943533  0.523355  1
  Ta  Ta82  1  0.207077  0.541669  0.481411  1
  Ta  Ta83  1  0.540410  0.208336  0.481411  1
  Ta  Ta84  1  0.461918  0.463125  0.515014  1
  Ta  Ta85  1  0.834544  0.502446  0.498146  1
  Ta  Ta86  1  0.167878  0.169113  0.498146  1
  Ta  Ta87  1  0.501211  0.835779  0.498146  1
  Ta  Ta88  1  0.873744  0.875002  0.481411  1
  Ta  Ta89  1  0.795251  0.129792  0.515014  1
  Ta  Ta90  1  0.128584  0.796458  0.515014  1
  Ta  Ta91  1  0.236323  0.570824  0.540236  1
  Ta  Ta92  1  0.569656  0.237491  0.540236  1
  Ta  Ta93  1  0.491150  0.492265  0.573842  1
  Ta  Ta94  1  0.863918  0.531729  0.557073  1
  Ta  Ta95  1  0.197251  0.198396  0.557073  1
  Ta  Ta96  1  0.530584  0.865062  0.557073  1
  Ta  Ta97  1  0.902990  0.904157  0.540236  1
  Ta  Ta98  1  0.824483  0.158932  0.573842  1
  Ta  Ta99  1  0.157816  0.825598  0.573842  1
  Ta  Ta100  1  0.089352  0.423868  0.531826  1
  Ta  Ta101  1  0.422686  0.090535  0.531826  1
  Ta  Ta102  1  0.344170  0.345299  0.565562  1
  Ta  Ta103  1  0.716752  0.384574  0.548539  1
  Ta  Ta104  1  0.050085  0.051241  0.548539  1
  Ta  Ta105  1  0.383418  0.717908  0.548539  1
  Ta  Ta106  1  0.756019  0.757202  0.531826  1
  Ta  Ta107  1  0.677504  0.011965  0.565562  1
  Ta  Ta108  1  0.010837  0.678632  0.565562  1
  Ta  Ta109  1  0.118564  0.452989  0.590711  1
  Ta  Ta110  1  0.451897  0.119656  0.590711  1
  Ta  Ta111  1  0.373310  0.374347  0.624784  1
  Ta  Ta112  1  0.746049  0.413780  0.607199  1
  Ta  Ta113  1  0.079382  0.080446  0.607199  1
  Ta  Ta114  1  0.412715  0.747113  0.607199  1
  Ta  Ta115  1  0.785231  0.786323  0.590711  1
  Ta  Ta116  1  0.706644  0.041014  0.624784  1
  Ta  Ta117  1  0.039977  0.707680  0.624784  1
  Ta  Ta118  1  0.971655  0.306096  0.582129  1
  Ta  Ta119  1  0.304988  0.972763  0.582129  1
  Ta  Ta120  1  0.226812  0.227867  0.616295  1
  Ta  Ta121  1  0.598764  0.266506  0.599016  1
  Ta  Ta122  1  0.932097  0.933172  0.599016  1
  Ta  Ta123  1  0.265430  0.599839  0.599016  1
  Ta  Ta124  1  0.638321  0.639429  0.582129  1
  Ta  Ta125  1  0.560146  0.894534  0.616295  1
  Ta  Ta126  1  0.893479  0.561200  0.616295  1
  Ta  Ta127  1  1.001172  0.335526  0.640818  1
  Ta  Ta128  1  0.334505  1.002192  0.640818  1
  Ta  Ta129  1  0.256793  0.257764  0.675979  1
  Ta  Ta130  1  0.627804  0.295447  0.657465  1
  Ta  Ta131  1  0.961137  0.962113  0.657465  1
  Ta  Ta132  1  0.294470  0.628780  0.657465  1
  Ta  Ta133  1  0.667839  0.668859  0.640818  1
  Ta  Ta134  1  0.590127  0.924430  0.675979  1
  Ta  Ta135  1  0.923460  0.591097  0.675979  1
  Ta  Ta136  1  0.853841  0.188194  0.632824  1
  Ta  Ta137  1  0.187175  0.854861  0.632824  1
  Ta  Ta138  1  0.108226  0.109195  0.665408  1
  Ta  Ta139  1  0.481085  0.148753  0.649417  1
  Ta  Ta140  1  0.814418  0.815419  0.649417  1
  Ta  Ta141  1  0.147751  0.482086  0.649417  1
  Ta  Ta142  1  0.520508  0.521527  0.632824  1
  Ta  Ta143  1  0.441559  0.775862  0.665408  1
  Ta  Ta144  1  0.774893  0.442528  0.665408  1
  Ta  Ta145  1  0.885310  0.219566  0.691011  1
  Ta  Ta146  1  0.218643  0.886233  0.691011  1
  Ta  Ta147  1  0.134168  0.135098  0.720484  1
  Ta  Ta148  1  0.506904  0.174454  0.704946  1
  Ta  Ta149  1  0.840238  0.841121  0.704946  1
  Ta  Ta150  1  0.173571  0.507788  0.704946  1
  Ta  Ta151  1  0.551976  0.552899  0.691011  1
  Ta  Ta152  1  0.467501  0.801765  0.720484  1
  Ta  Ta153  1  0.800835  0.468432  0.720484  1
  Ta  Ta154  1  0.739133  0.073384  0.682965  1
  Ta  Ta155  1  0.072467  0.740051  0.682965  1
  Ta  Ta156  1  0.986839  0.987718  0.712797  1
  Ta  Ta157  1  0.361474  0.029118  0.696899  1
  Ta  Ta158  1  0.694808  0.695785  0.696899  1
  Ta  Ta159  1  0.028141  0.362451  0.696899  1
  Ta  Ta160  1  0.405800  0.406718  0.682965  1
  Ta  Ta161  1  0.320172  0.654384  0.712797  1
  Ta  Ta162  1  0.653506  0.321051  0.712797  1
