# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36525958
_cell_length_b   10.36551526
_cell_length_c   47.91872772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta126
_cell_volume   5122.64138773
_cell_formula_units_Z   126
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  0.015615  0.349307  0.331453  1
  Ta  Ta2  1  0.352923  0.017932  0.334823  1
  Ta  Ta3  1  0.420905  0.419894  0.293825  1
  Ta  Ta4  1  0.684240  0.686615  0.334823  1
  Ta  Ta5  1  0.747855  0.081544  0.296051  1
  Ta  Ta6  1  0.716869  0.378723  0.311904  1
  Ta  Ta7  1  0.086204  0.754595  0.293825  1
  Ta  Ta8  1  0.045031  0.050560  0.311903  1
  Ta  Ta9  1  0.379445  0.713137  0.311794  1
  Ta  Ta10  1  0.835896  0.169588  0.344677  1
  Ta  Ta11  1  0.266021  0.936744  0.286032  1
  Ta  Ta12  1  0.241247  0.226338  0.303121  1
  Ta  Ta13  1  0.603056  0.599710  0.286032  1
  Ta  Ta14  1  0.562593  0.896284  0.302478  1
  Ta  Ta15  1  0.530794  0.198634  0.322094  1
  Ta  Ta16  1  0.892647  0.574937  0.303121  1
  Ta  Ta17  1  0.864942  0.864487  0.322094  1
  Ta  Ta18  1  0.196165  0.529857  0.321446  1
  Ta  Ta19  1  0.926819  0.260513  0.395831  1
  Ta  Ta20  1  0.259285  0.927424  0.396016  1
  Ta  Ta21  1  0.320745  0.322624  0.353524  1
  Ta  Ta22  1  0.593729  0.592979  0.396016  1
  Ta  Ta23  1  0.654029  0.987722  0.353628  1
  Ta  Ta24  1  0.622985  0.290622  0.374562  1
  Ta  Ta25  1  0.988931  0.654437  0.353524  1
  Ta  Ta26  1  0.956929  0.956679  0.374562  1
  Ta  Ta27  1  0.289203  0.622896  0.374250  1
  Ta  Ta28  1  0.744386  0.078080  0.406336  1
  Ta  Ta29  1  0.169872  0.838364  0.343586  1
  Ta  Ta30  1  0.137608  0.140822  0.363844  1
  Ta  Ta31  1  0.504672  0.503564  0.343586  1
  Ta  Ta32  1  0.471224  0.804917  0.364556  1
  Ta  Ta33  1  0.442186  0.109945  0.385682  1
  Ta  Ta34  1  0.807129  0.471302  0.363844  1
  Ta  Ta35  1  0.776251  0.775880  0.385682  1
  Ta  Ta36  1  0.107425  0.441119  0.384537  1
  Ta  Ta37  1  0.834734  0.168430  0.458606  1
  Ta  Ta38  1  0.168070  0.835063  0.458585  1
  Ta  Ta39  1  0.228693  0.229919  0.416544  1
  Ta  Ta40  1  0.501367  0.501766  0.458585  1
  Ta  Ta41  1  0.562393  0.896088  0.416751  1
  Ta  Ta42  1  0.531997  0.199390  0.437743  1
  Ta  Ta43  1  0.896224  0.562388  0.416544  1
  Ta  Ta44  1  0.865695  0.865692  0.437743  1
  Ta  Ta45  1  0.198237  0.531933  0.437370  1
  Ta  Ta46  1  0.652735  0.986431  0.469092  1
  Ta  Ta47  1  0.078057  0.744484  0.406158  1
  Ta  Ta48  1  0.046962  0.047680  0.427077  1
  Ta  Ta49  1  0.410789  0.411751  0.406158  1
  Ta  Ta50  1  0.380139  0.713834  0.427050  1
  Ta  Ta51  1  0.349972  0.017289  0.448183  1
  Ta  Ta52  1  0.713985  0.380657  0.427077  1
  Ta  Ta53  1  0.683594  0.683667  0.448183  1
  Ta  Ta54  1  0.016712  0.350407  0.448056  1
  Ta  Ta55  1  0.742988  0.076685  0.521446  1
  Ta  Ta56  1  0.076406  0.743452  0.521430  1
  Ta  Ta57  1  0.137451  0.137824  0.479482  1
  Ta  Ta58  1  0.409754  0.410104  0.521430  1
  Ta  Ta59  1  0.470704  0.804401  0.479504  1
  Ta  Ta60  1  0.440281  0.107316  0.500503  1
  Ta  Ta61  1  0.804127  0.471148  0.479482  1
  Ta  Ta62  1  0.773618  0.773978  0.500503  1
  Ta  Ta63  1  0.106856  0.440553  0.500397  1
  Ta  Ta64  1  0.561063  0.894762  0.531935  1
  Ta  Ta65  1  0.986222  0.652967  0.469009  1
  Ta  Ta66  1  0.955610  0.955886  0.490016  1
  Ta  Ta67  1  0.319271  0.319918  0.469009  1
  Ta  Ta68  1  0.288725  0.622422  0.489909  1
  Ta  Ta69  1  0.258440  0.925386  0.510998  1
  Ta  Ta70  1  0.622189  0.289307  0.490016  1
  Ta  Ta71  1  0.591689  0.592137  0.510998  1
  Ta  Ta72  1  0.924877  0.258575  0.510880  1
  Ta  Ta73  1  0.651326  0.985026  0.584443  1
  Ta  Ta74  1  0.984350  0.652252  0.584268  1
  Ta  Ta75  1  0.045767  0.046066  0.542317  1
  Ta  Ta76  1  0.318553  0.318049  0.584268  1
  Ta  Ta77  1  0.379059  0.712757  0.542336  1
  Ta  Ta78  1  0.349037  0.015727  0.563480  1
  Ta  Ta79  1  0.712367  0.379465  0.542317  1
  Ta  Ta80  1  0.682028  0.682736  0.563480  1
  Ta  Ta81  1  0.014876  0.348575  0.563075  1
  Ta  Ta82  1  0.469288  0.802988  0.594690  1
  Ta  Ta83  1  0.894280  0.561610  0.531859  1
  Ta  Ta84  1  0.863611  0.864253  0.552845  1
  Ta  Ta85  1  0.227912  0.227979  0.531859  1
  Ta  Ta86  1  0.197011  0.530710  0.552719  1
  Ta  Ta87  1  0.166662  0.834036  0.573870  1
  Ta  Ta88  1  0.530554  0.197310  0.552845  1
  Ta  Ta89  1  0.500336  0.500361  0.573870  1
  Ta  Ta90  1  0.833159  0.166859  0.573814  1
  Ta  Ta91  1  0.558427  0.892129  0.647068  1
  Ta  Ta92  1  0.892014  0.560464  0.647121  1
  Ta  Ta93  1  0.953014  0.954540  0.605055  1
  Ta  Ta94  1  0.226762  0.225716  0.647121  1
  Ta  Ta95  1  0.287191  0.620892  0.604895  1
  Ta  Ta96  1  0.257866  0.924326  0.626470  1
  Ta  Ta97  1  0.620840  0.286714  0.605055  1
  Ta  Ta98  1  0.590625  0.591567  0.626470  1
  Ta  Ta99  1  0.923523  0.257224  0.626131  1
  Ta  Ta100  1  0.376337  0.710039  0.657330  1
  Ta  Ta101  1  0.802430  0.470098  0.594554  1
  Ta  Ta102  1  0.772671  0.773653  0.616239  1
  Ta  Ta103  1  0.136398  0.136130  0.594553  1
  Ta  Ta104  1  0.104379  0.438080  0.615006  1
  Ta  Ta105  1  0.073656  0.743987  0.636797  1
  Ta  Ta106  1  0.439953  0.106371  0.616239  1
  Ta  Ta107  1  0.410286  0.407357  0.636797  1
  Ta  Ta108  1  0.740899  0.074601  0.637409  1
  Ta  Ta109  1  0.459449  0.793153  0.707054  1
  Ta  Ta110  1  0.797869  0.463454  0.704923  1
  Ta  Ta111  1  0.865853  0.864799  0.669171  1
  Ta  Ta112  1  0.129749  0.131574  0.704923  1
  Ta  Ta113  1  0.195402  0.529105  0.665508  1
  Ta  Ta114  1  0.164569  0.835623  0.688910  1
  Ta  Ta115  1  0.531097  0.199555  0.669171  1
  Ta  Ta116  1  0.501921  0.498272  0.688911  1
  Ta  Ta117  1  0.832537  0.166241  0.688343  1
  Ta  Ta118  1  0.278464  0.612170  0.714477  1
  Ta  Ta119  1  0.711405  0.377249  0.656258  1
  Ta  Ta120  1  0.683451  0.684146  0.679074  1
  Ta  Ta121  1  0.043547  0.045107  0.656258  1
  Ta  Ta122  1  0.015074  0.348777  0.678416  1
  Ta  Ta123  1  0.988250  0.639600  0.697651  1
  Ta  Ta124  1  0.350444  0.017153  0.679074  1
  Ta  Ta125  1  0.305896  0.321953  0.697651  1
  Ta  Ta126  1  0.642992  0.976696  0.696734  1
