# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34807313
_cell_length_b   9.34535360
_cell_length_c   48.11498743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta96
_cell_volume   4118.4503341
_cell_formula_units_Z   96
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  0.063634  0.064521  0.296224  1
  Ta  Ta2  1  0.563634  0.564521  0.296224  1
  Ta  Ta3  1  0.483484  0.984311  0.328608  1
  Ta  Ta4  1  0.983484  0.484311  0.328608  1
  Ta  Ta5  1  0.733484  0.734311  0.328608  1
  Ta  Ta6  1  0.233484  0.234311  0.328608  1
  Ta  Ta7  1  0.313634  0.814521  0.296224  1
  Ta  Ta8  1  0.813634  0.314521  0.296224  1
  Ta  Ta9  1  0.025790  0.776602  0.311971  1
  Ta  Ta10  1  0.525790  0.276602  0.311971  1
  Ta  Ta11  1  0.442759  0.693614  0.347207  1
  Ta  Ta12  1  0.942759  0.193614  0.347207  1
  Ta  Ta13  1  0.775790  0.026602  0.311971  1
  Ta  Ta14  1  0.275790  0.526602  0.311971  1
  Ta  Ta15  1  0.192759  0.943614  0.347207  1
  Ta  Ta16  1  0.692759  0.443614  0.347207  1
  Ta  Ta17  1  0.899703  0.900514  0.364579  1
  Ta  Ta18  1  0.399703  0.400514  0.364579  1
  Ta  Ta19  1  0.316170  0.816967  0.400795  1
  Ta  Ta20  1  0.816170  0.316967  0.400795  1
  Ta  Ta21  1  0.566170  0.566967  0.400795  1
  Ta  Ta22  1  0.066170  0.066967  0.400795  1
  Ta  Ta23  1  0.149703  0.650514  0.364579  1
  Ta  Ta24  1  0.649703  0.150514  0.364579  1
  Ta  Ta25  1  0.858221  0.609021  0.382331  1
  Ta  Ta26  1  0.358221  0.109021  0.382331  1
  Ta  Ta27  1  0.274134  0.524916  0.418531  1
  Ta  Ta28  1  0.774134  0.024916  0.418531  1
  Ta  Ta29  1  0.608221  0.859021  0.382331  1
  Ta  Ta30  1  0.108221  0.359021  0.382331  1
  Ta  Ta31  1  0.024134  0.774916  0.418531  1
  Ta  Ta32  1  0.524134  0.274916  0.418531  1
  Ta  Ta33  1  0.732346  0.733117  0.436392  1
  Ta  Ta34  1  0.232346  0.233117  0.436392  1
  Ta  Ta35  1  0.148407  0.649157  0.472424  1
  Ta  Ta36  1  0.648407  0.149157  0.472424  1
  Ta  Ta37  1  0.398407  0.399157  0.472424  1
  Ta  Ta38  1  0.898407  0.899157  0.472424  1
  Ta  Ta39  1  0.982346  0.483117  0.436392  1
  Ta  Ta40  1  0.482346  0.983117  0.436392  1
  Ta  Ta41  1  0.690382  0.441143  0.454571  1
  Ta  Ta42  1  0.190382  0.941143  0.454571  1
  Ta  Ta43  1  0.106518  0.357257  0.490316  1
  Ta  Ta44  1  0.606518  0.857257  0.490316  1
  Ta  Ta45  1  0.440382  0.691143  0.454571  1
  Ta  Ta46  1  0.940382  0.191143  0.454571  1
  Ta  Ta47  1  0.856518  0.607257  0.490316  1
  Ta  Ta48  1  0.356518  0.107257  0.490316  1
  Ta  Ta49  1  0.564555  0.565283  0.508432  1
  Ta  Ta50  1  0.064555  0.065283  0.508432  1
  Ta  Ta51  1  0.980691  0.481397  0.544177  1
  Ta  Ta52  1  0.480691  0.981397  0.544177  1
  Ta  Ta53  1  0.230691  0.231397  0.544177  1
  Ta  Ta54  1  0.730691  0.731397  0.544177  1
  Ta  Ta55  1  0.814555  0.315283  0.508432  1
  Ta  Ta56  1  0.314555  0.815283  0.508432  1
  Ta  Ta57  1  0.522666  0.273383  0.526324  1
  Ta  Ta58  1  0.022666  0.773383  0.526324  1
  Ta  Ta59  1  0.938727  0.189422  0.562356  1
  Ta  Ta60  1  0.438727  0.689422  0.562356  1
  Ta  Ta61  1  0.272666  0.523383  0.526324  1
  Ta  Ta62  1  0.772666  0.023383  0.526324  1
  Ta  Ta63  1  0.688727  0.439422  0.562356  1
  Ta  Ta64  1  0.188727  0.939422  0.562356  1
  Ta  Ta65  1  0.396939  0.397624  0.580217  1
  Ta  Ta66  1  0.896939  0.897624  0.580217  1
  Ta  Ta67  1  0.812851  0.313519  0.616417  1
  Ta  Ta68  1  0.312851  0.813519  0.616417  1
  Ta  Ta69  1  0.062851  0.063519  0.616417  1
  Ta  Ta70  1  0.562851  0.563519  0.616417  1
  Ta  Ta71  1  0.646939  0.147624  0.580217  1
  Ta  Ta72  1  0.146939  0.647624  0.580217  1
  Ta  Ta73  1  0.354903  0.105573  0.597954  1
  Ta  Ta74  1  0.854903  0.605573  0.597954  1
  Ta  Ta75  1  0.771370  0.022026  0.634169  1
  Ta  Ta76  1  0.271370  0.522026  0.634169  1
  Ta  Ta77  1  0.104903  0.355573  0.597954  1
  Ta  Ta78  1  0.604903  0.855573  0.597954  1
  Ta  Ta79  1  0.521370  0.272026  0.634169  1
  Ta  Ta80  1  0.021370  0.772026  0.634169  1
  Ta  Ta81  1  0.228314  0.228926  0.651541  1
  Ta  Ta82  1  0.728314  0.728926  0.651541  1
  Ta  Ta83  1  0.645283  0.145938  0.686778  1
  Ta  Ta84  1  0.145283  0.645938  0.686778  1
  Ta  Ta85  1  0.895283  0.895938  0.686778  1
  Ta  Ta86  1  0.395283  0.395938  0.686778  1
  Ta  Ta87  1  0.478314  0.978926  0.651541  1
  Ta  Ta88  1  0.978314  0.478926  0.651541  1
  Ta  Ta89  1  0.187589  0.938229  0.670141  1
  Ta  Ta90  1  0.687589  0.438229  0.670141  1
  Ta  Ta91  1  0.607438  0.858019  0.702524  1
  Ta  Ta92  1  0.107438  0.358019  0.702524  1
  Ta  Ta93  1  0.937589  0.188229  0.670141  1
  Ta  Ta94  1  0.437589  0.688229  0.670141  1
  Ta  Ta95  1  0.357438  0.108019  0.702524  1
  Ta  Ta96  1  0.857438  0.608019  0.702524  1
