# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35396406
_cell_length_b   11.87110163
_cell_length_c   46.28741809
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta120
_cell_volume   4727.96597982
_cell_formula_units_Z   120
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  0.587951  0.217934  0.308600  1
  Ta  Ta2  1  0.091999  0.226167  0.309631  1
  Ta  Ta3  1  0.024028  0.592679  0.293946  1
  Ta  Ta4  1  0.457068  0.955706  0.282328  1
  Ta  Ta5  1  0.526610  0.592760  0.293956  1
  Ta  Ta6  1  0.652599  0.857285  0.322905  1
  Ta  Ta7  1  0.269281  0.088627  0.294837  1
  Ta  Ta8  1  0.777420  0.088413  0.294860  1
  Ta  Ta9  1  0.705603  0.452953  0.281681  1
  Ta  Ta10  1  0.841246  0.724696  0.308729  1
  Ta  Ta11  1  0.207520  0.456586  0.281542  1
  Ta  Ta12  1  0.338590  0.719490  0.308984  1
  Ta  Ta13  1  0.293073  0.131799  0.353662  1
  Ta  Ta14  1  0.796289  0.131797  0.353678  1
  Ta  Ta15  1  0.726394  0.495118  0.338737  1
  Ta  Ta16  1  0.162383  0.857379  0.322882  1
  Ta  Ta17  1  0.225828  0.493966  0.338978  1
  Ta  Ta18  1  0.362028  0.766556  0.369296  1
  Ta  Ta19  1  0.975086  0.992635  0.336600  1
  Ta  Ta20  1  0.476131  0.994618  0.339532  1
  Ta  Ta21  1  0.409870  0.359222  0.321720  1
  Ta  Ta22  1  0.544804  0.631472  0.353993  1
  Ta  Ta23  1  0.907101  0.359199  0.321732  1
  Ta  Ta24  1  0.044278  0.631497  0.353983  1
  Ta  Ta25  1  0.998351  0.039336  0.398599  1
  Ta  Ta26  1  0.498853  0.040309  0.399640  1
  Ta  Ta27  1  0.430606  0.403196  0.383598  1
  Ta  Ta28  1  0.863147  0.768737  0.368718  1
  Ta  Ta29  1  0.930043  0.403211  0.383600  1
  Ta  Ta30  1  0.066722  0.676397  0.414597  1
  Ta  Ta31  1  0.680882  0.903807  0.383792  1
  Ta  Ta32  1  0.180377  0.903812  0.383785  1
  Ta  Ta33  1  0.112476  0.267416  0.369024  1
  Ta  Ta34  1  0.248401  0.539405  0.399555  1
  Ta  Ta35  1  0.612389  0.267246  0.368702  1
  Ta  Ta36  1  0.748757  0.540119  0.399382  1
  Ta  Ta37  1  0.703159  0.948873  0.444838  1
  Ta  Ta38  1  0.202914  0.948871  0.444836  1
  Ta  Ta39  1  0.134790  0.312307  0.429732  1
  Ta  Ta40  1  0.567010  0.676398  0.414599  1
  Ta  Ta41  1  0.634876  0.312491  0.429647  1
  Ta  Ta42  1  0.771117  0.585094  0.460175  1
  Ta  Ta43  1  0.384936  0.812602  0.429862  1
  Ta  Ta44  1  0.885059  0.812846  0.429624  1
  Ta  Ta45  1  0.817147  0.176309  0.414468  1
  Ta  Ta46  1  0.952816  0.448627  0.444810  1
  Ta  Ta47  1  0.316485  0.176299  0.414461  1
  Ta  Ta48  1  0.453008  0.448626  0.444809  1
  Ta  Ta49  1  0.407386  0.857754  0.490685  1
  Ta  Ta50  1  0.907351  0.857686  0.490499  1
  Ta  Ta51  1  0.839329  0.221395  0.475345  1
  Ta  Ta52  1  0.271052  0.584964  0.460236  1
  Ta  Ta53  1  0.339142  0.221392  0.475342  1
  Ta  Ta54  1  0.475471  0.493874  0.505790  1
  Ta  Ta55  1  0.089237  0.721423  0.475379  1
  Ta  Ta56  1  0.589264  0.721423  0.475378  1
  Ta  Ta57  1  0.521186  0.085230  0.460273  1
  Ta  Ta58  1  0.657328  0.357643  0.490615  1
  Ta  Ta59  1  0.021005  0.084877  0.459919  1
  Ta  Ta60  1  0.157325  0.357632  0.490615  1
  Ta  Ta61  1  0.111743  0.766480  0.536196  1
  Ta  Ta62  1  0.611560  0.766478  0.536194  1
  Ta  Ta63  1  0.543582  0.130274  0.521105  1
  Ta  Ta64  1  0.975352  0.493873  0.505791  1
  Ta  Ta65  1  0.043552  0.130217  0.520929  1
  Ta  Ta66  1  0.179865  0.402963  0.551590  1
  Ta  Ta67  1  0.793502  0.630114  0.521044  1
  Ta  Ta68  1  0.293502  0.630119  0.521037  1
  Ta  Ta69  1  0.225474  0.994000  0.505781  1
  Ta  Ta70  1  0.361710  0.266575  0.536228  1
  Ta  Ta71  1  0.725478  0.994001  0.505782  1
  Ta  Ta72  1  0.861692  0.266576  0.536230  1
  Ta  Ta73  1  0.815793  0.674944  0.581942  1
  Ta  Ta74  1  0.315889  0.675148  0.581825  1
  Ta  Ta75  1  0.248064  0.039201  0.566705  1
  Ta  Ta76  1  0.679794  0.402818  0.551648  1
  Ta  Ta77  1  0.747836  0.039200  0.566704  1
  Ta  Ta78  1  0.884069  0.311825  0.597053  1
  Ta  Ta79  1  0.497971  0.539013  0.566714  1
  Ta  Ta80  1  0.997739  0.539010  0.566715  1
  Ta  Ta81  1  0.929695  0.902630  0.551290  1
  Ta  Ta82  1  0.066081  0.175532  0.581793  1
  Ta  Ta83  1  0.429890  0.903009  0.551656  1
  Ta  Ta84  1  0.565946  0.175255  0.582013  1
  Ta  Ta85  1  0.520624  0.584067  0.627580  1
  Ta  Ta86  1  0.019887  0.584061  0.627581  1
  Ta  Ta87  1  0.951983  0.947471  0.611857  1
  Ta  Ta88  1  0.384328  0.311826  0.597050  1
  Ta  Ta89  1  0.452521  0.948508  0.612930  1
  Ta  Ta90  1  0.587592  0.218848  0.642947  1
  Ta  Ta91  1  0.202615  0.448702  0.612785  1
  Ta  Ta92  1  0.702146  0.447760  0.612945  1
  Ta  Ta93  1  0.633758  0.811582  0.596931  1
  Ta  Ta94  1  0.770242  0.084641  0.627689  1
  Ta  Ta95  1  0.134400  0.811589  0.596937  1
  Ta  Ta96  1  0.270830  0.084637  0.627691  1
  Ta  Ta97  1  0.225561  0.494756  0.674582  1
  Ta  Ta98  1  0.724144  0.492059  0.674786  1
  Ta  Ta99  1  0.655237  0.857447  0.657406  1
  Ta  Ta100  1  0.088890  0.221406  0.642400  1
  Ta  Ta101  1  0.158515  0.857442  0.657416  1
  Ta  Ta102  1  0.287754  0.129949  0.688577  1
  Ta  Ta103  1  0.906638  0.357226  0.657743  1
  Ta  Ta104  1  0.406895  0.357199  0.657738  1
  Ta  Ta105  1  0.338020  0.719657  0.642434  1
  Ta  Ta106  1  0.474798  0.993341  0.675104  1
  Ta  Ta107  1  0.837953  0.719482  0.642825  1
  Ta  Ta108  1  0.974049  0.991889  0.671985  1
  Ta  Ta109  1  0.924987  0.398890  0.714893  1
  Ta  Ta110  1  0.429500  0.398952  0.714884  1
  Ta  Ta111  1  0.356446  0.756702  0.702281  1
  Ta  Ta112  1  0.798350  0.129994  0.688565  1
  Ta  Ta113  1  0.862118  0.768149  0.703249  1
  Ta  Ta114  1  0.992389  0.029308  0.729240  1
  Ta  Ta115  1  0.606738  0.257503  0.702591  1
  Ta  Ta116  1  0.110421  0.264859  0.702511  1
  Ta  Ta117  1  0.041771  0.632278  0.687516  1
  Ta  Ta118  1  0.181729  0.897739  0.716322  1
  Ta  Ta119  1  0.546773  0.632322  0.687516  1
  Ta  Ta120  1  0.671889  0.897868  0.716309  1
