# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25500720
_cell_length_b   7.36730439
_cell_length_c   47.45756370
_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   Ta28
_cell_volume   1138.06222021
_cell_formula_units_Z   28
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  0.507300  0.180670  0.334481  1
  Ta  Ta2  1  0.507300  0.786288  0.302503  1
  Ta  Ta3  1  0.007300  0.477048  0.316744  1
  Ta  Ta4  1  0.007300  0.085621  0.290316  1
  Ta  Ta5  1  0.507300  0.977468  0.395956  1
  Ta  Ta6  1  0.507300  0.577591  0.363650  1
  Ta  Ta7  1  0.007300  0.279933  0.380593  1
  Ta  Ta8  1  0.007300  0.877819  0.348594  1
  Ta  Ta9  1  0.507300  0.776664  0.458571  1
  Ta  Ta10  1  0.507300  0.378036  0.427397  1
  Ta  Ta11  1  0.007300  0.077119  0.443032  1
  Ta  Ta12  1  0.007300  0.677200  0.411286  1
  Ta  Ta13  1  0.507300  0.575625  0.521469  1
  Ta  Ta14  1  0.507300  0.176394  0.490143  1
  Ta  Ta15  1  0.007300  0.875965  0.505736  1
  Ta  Ta16  1  0.007300  0.476734  0.474410  1
  Ta  Ta17  1  0.507300  0.375159  0.584592  1
  Ta  Ta18  1  0.507300  0.975240  0.552847  1
  Ta  Ta19  1  0.007300  0.674324  0.568482  1
  Ta  Ta20  1  0.007300  0.275695  0.537308  1
  Ta  Ta21  1  0.507300  0.174540  0.647285  1
  Ta  Ta22  1  0.507300  0.772426  0.615286  1
  Ta  Ta23  1  0.007300  0.474768  0.632228  1
  Ta  Ta24  1  0.007300  0.074891  0.599923  1
  Ta  Ta25  1  0.507300  0.966738  0.705563  1
  Ta  Ta26  1  0.507300  0.575311  0.679135  1
  Ta  Ta27  1  0.007300  0.266071  0.693376  1
  Ta  Ta28  1  0.007300  0.871689  0.661398  1
