# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71202199
_cell_length_b   11.13101166
_cell_length_c   52.20203000
_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   Ta66
_cell_volume   2737.97411858
_cell_formula_units_Z   66
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  1.004997  0.988957  0.291934  1
  Ta  Ta2  1  0.504997  0.496810  0.361296  1
  Ta  Ta3  1  1.004997  0.770128  0.316871  1
  Ta  Ta4  1  1.004997  0.287799  0.426019  1
  Ta  Ta5  1  0.504997  0.640230  0.317629  1
  Ta  Ta6  1  0.504997  0.316528  0.396442  1
  Ta  Ta7  1  1.004997  0.184643  0.321686  1
  Ta  Ta8  1  1.004997  0.819669  0.395477  1
  Ta  Ta9  1  0.504997  0.174797  0.350949  1
  Ta  Ta10  1  0.504997  0.776235  0.363722  1
  Ta  Ta11  1  1.004997  0.506759  0.405982  1
  Ta  Ta12  1  1.004997  0.492649  0.317174  1
  Ta  Ta13  1  0.504997  0.619590  0.412473  1
  Ta  Ta14  1  0.504997  0.360891  0.316574  1
  Ta  Ta15  1  1.004997  0.131136  0.386840  1
  Ta  Ta16  1  1.004997  0.956942  0.350469  1
  Ta  Ta17  1  0.504997  0.998043  0.387786  1
  Ta  Ta18  1  0.504997  0.944463  0.322305  1
  Ta  Ta19  1  1.004997  0.352225  0.361763  1
  Ta  Ta20  1  1.004997  0.637086  0.361186  1
  Ta  Ta21  1  0.504997  0.859037  0.431889  1
  Ta  Ta22  1  0.504997  0.139382  0.292167  1
  Ta  Ta23  1  1.004997  0.995370  0.433547  1
  Ta  Ta24  1  0.504997  0.498306  0.504981  1
  Ta  Ta25  1  1.004997  0.728527  0.443502  1
  Ta  Ta26  1  1.004997  0.267842  0.566258  1
  Ta  Ta27  1  0.504997  0.676928  0.468252  1
  Ta  Ta28  1  0.504997  0.319495  0.541623  1
  Ta  Ta29  1  1.004997  0.171369  0.470132  1
  Ta  Ta30  1  1.004997  0.825014  0.539811  1
  Ta  Ta31  1  0.504997  0.225320  0.494005  1
  Ta  Ta32  1  0.504997  0.771181  0.515878  1
  Ta  Ta33  1  1.004997  0.498120  0.550253  1
  Ta  Ta34  1  1.004997  0.498371  0.459794  1
  Ta  Ta35  1  0.504997  0.611190  0.558190  1
  Ta  Ta36  1  0.504997  0.385272  0.451749  1
  Ta  Ta37  1  1.004997  0.115812  0.523515  1
  Ta  Ta38  1  1.004997  0.880364  0.486361  1
  Ta  Ta39  1  0.504997  0.006334  0.531746  1
  Ta  Ta40  1  0.504997  0.990088  0.478199  1
  Ta  Ta41  1  1.004997  0.360776  0.504336  1
  Ta  Ta42  1  1.004997  0.635663  0.505634  1
  Ta  Ta43  1  0.504997  0.857977  0.576068  1
  Ta  Ta44  1  0.504997  0.137924  0.433788  1
  Ta  Ta45  1  1.004997  0.000914  0.576419  1
  Ta  Ta46  1  0.504997  0.499123  0.648731  1
  Ta  Ta47  1  1.004997  0.708158  0.583907  1
  Ta  Ta48  1  1.004997  0.221240  0.692221  1
  Ta  Ta49  1  0.504997  0.679726  0.613639  1
  Ta  Ta50  1  0.504997  0.352246  0.692184  1
  Ta  Ta51  1  1.004997  0.178000  0.614232  1
  Ta  Ta52  1  1.004997  0.821781  0.688731  1
  Ta  Ta53  1  0.504997  0.219620  0.645894  1
  Ta  Ta54  1  0.504997  0.821306  0.659237  1
  Ta  Ta55  1  1.004997  0.502688  0.692862  1
  Ta  Ta56  1  1.004997  0.490360  0.604286  1
  Ta  Ta57  1  0.504997  0.633352  0.693352  1
  Ta  Ta58  1  0.504997  0.377529  0.597368  1
  Ta  Ta59  1  1.004997  0.039946  0.658343  1
  Ta  Ta60  1  1.004997  0.864157  0.622986  1
  Ta  Ta61  1  0.504997  0.051498  0.686592  1
  Ta  Ta62  1  0.504997  0.997358  0.621991  1
  Ta  Ta63  1  1.004997  0.359024  0.648927  1
  Ta  Ta64  1  1.004997  0.646116  0.648917  1
  Ta  Ta65  1  0.504997  0.852033  0.714757  1
  Ta  Ta66  1  0.504997  0.137511  0.578008  1
