# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84607351
_cell_length_b   4.70057603
_cell_length_c   53.19780714
_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   Ta44
_cell_volume   1961.99178662
_cell_formula_units_Z   44
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  0.892565  1.008126  0.460537  1
  Ta  Ta2  1  0.392446  0.508126  0.359990  1
  Ta  Ta3  1  0.986617  1.008126  0.410126  1
  Ta  Ta4  1  0.818491  1.008126  0.328261  1
  Ta  Ta5  1  0.137587  0.508126  0.393306  1
  Ta  Ta6  1  0.652529  0.508126  0.328261  1
  Ta  Ta7  1  0.140108  1.008126  0.496438  1
  Ta  Ta8  1  0.636918  1.008126  0.426210  1
  Ta  Ta9  1  0.330912  0.508126  0.496438  1
  Ta  Ta10  1  0.484403  0.508126  0.410126  1
  Ta  Ta11  1  0.647780  1.008126  0.372144  1
  Ta  Ta12  1  0.078573  1.008126  0.359990  1
  Ta  Ta13  1  0.823240  0.508126  0.372144  1
  Ta  Ta14  1  0.077753  0.508126  0.333035  1
  Ta  Ta15  1  0.577828  1.008126  0.488407  1
  Ta  Ta16  1  0.322206  1.008126  0.448612  1
  Ta  Ta17  1  0.578455  0.508126  0.460537  1
  Ta  Ta18  1  0.148814  0.508126  0.448612  1
  Ta  Ta19  1  0.393267  1.008126  0.333035  1
  Ta  Ta20  1  0.333433  1.008126  0.393306  1
  Ta  Ta21  1  0.834102  0.508126  0.426210  1
  Ta  Ta22  1  0.893191  0.508126  0.488407  1
  Ta  Ta23  1  0.892446  1.008126  0.661728  1
  Ta  Ta24  1  0.392565  0.508126  0.561180  1
  Ta  Ta25  1  0.984403  1.008126  0.611591  1
  Ta  Ta26  1  0.830912  1.008126  0.525279  1
  Ta  Ta27  1  0.136918  0.508126  0.595507  1
  Ta  Ta28  1  0.640108  0.508126  0.525279  1
  Ta  Ta29  1  0.152529  1.008126  0.693457  1
  Ta  Ta30  1  0.637587  1.008126  0.628412  1
  Ta  Ta31  1  0.318491  0.508126  0.693457  1
  Ta  Ta32  1  0.486617  0.508126  0.611591  1
  Ta  Ta33  1  0.648814  1.008126  0.573106  1
  Ta  Ta34  1  0.078455  1.008126  0.561180  1
  Ta  Ta35  1  0.822206  0.508126  0.573106  1
  Ta  Ta36  1  0.077828  0.508126  0.533311  1
  Ta  Ta37  1  0.577753  1.008126  0.688683  1
  Ta  Ta38  1  0.323240  1.008126  0.649574  1
  Ta  Ta39  1  0.578573  0.508126  0.661728  1
  Ta  Ta40  1  0.147780  0.508126  0.649574  1
  Ta  Ta41  1  0.393191  1.008126  0.533311  1
  Ta  Ta42  1  0.334102  1.008126  0.595507  1
  Ta  Ta43  1  0.833433  0.508126  0.628412  1
  Ta  Ta44  1  0.893267  0.508126  0.688683  1
