# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25476542
_cell_length_b   7.37766910
_cell_length_c   47.51108725
_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   1140.8638901
_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  0.507353  0.178417  0.334386  1
  Ta  Ta2  1  0.507353  0.790645  0.301707  1
  Ta  Ta3  1  0.007353  0.478094  0.316214  1
  Ta  Ta4  1  0.007353  0.097608  0.288505  1
  Ta  Ta5  1  0.507353  0.976445  0.395716  1
  Ta  Ta6  1  0.507353  0.576277  0.363419  1
  Ta  Ta7  1  0.007353  0.278813  0.380326  1
  Ta  Ta8  1  0.007353  0.876502  0.348641  1
  Ta  Ta9  1  0.507353  0.775767  0.458111  1
  Ta  Ta10  1  0.507353  0.377081  0.427011  1
  Ta  Ta11  1  0.007353  0.076267  0.442639  1
  Ta  Ta12  1  0.007353  0.676060  0.410936  1
  Ta  Ta13  1  0.507353  0.575032  0.520868  1
  Ta  Ta14  1  0.507353  0.175706  0.489627  1
  Ta  Ta15  1  0.007353  0.875275  0.505160  1
  Ta  Ta16  1  0.007353  0.475950  0.473920  1
  Ta  Ta17  1  0.507353  0.374921  0.583851  1
  Ta  Ta18  1  0.507353  0.974715  0.552148  1
  Ta  Ta19  1  0.007353  0.673901  0.567776  1
  Ta  Ta20  1  0.007353  0.275215  0.536676  1
  Ta  Ta21  1  0.507353  0.174480  0.646147  1
  Ta  Ta22  1  0.507353  0.772169  0.614461  1
  Ta  Ta23  1  0.007353  0.474705  0.631369  1
  Ta  Ta24  1  0.007353  0.074537  0.599072  1
  Ta  Ta25  1  0.507353  0.953374  0.706282  1
  Ta  Ta26  1  0.507353  0.572888  0.678574  1
  Ta  Ta27  1  0.007353  0.260337  0.693081  1
  Ta  Ta28  1  0.007353  0.872565  0.660401  1
