# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67002471
_cell_length_b   4.67002471
_cell_length_c   47.41903474
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta22
_cell_volume   895.615700497
_cell_formula_units_Z   22
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  0.833430  0.916731  0.313142  1
  Ta  Ta2  1  0.166764  0.583398  0.295256  1
  Ta  Ta3  1  0.166764  0.583398  0.352186  1
  Ta  Ta4  1  0.500097  0.250065  0.330687  1
  Ta  Ta5  1  0.500097  0.250065  0.391732  1
  Ta  Ta6  1  0.833430  0.916731  0.372172  1
  Ta  Ta7  1  0.833430  0.916731  0.432308  1
  Ta  Ta8  1  0.166764  0.583398  0.412281  1
  Ta  Ta9  1  0.166764  0.583398  0.472503  1
  Ta  Ta10  1  0.500097  0.250065  0.452294  1
  Ta  Ta11  1  0.500097  0.250065  0.512669  1
  Ta  Ta12  1  0.833430  0.916731  0.492611  1
  Ta  Ta13  1  0.833430  0.916731  0.552986  1
  Ta  Ta14  1  0.166764  0.583398  0.532776  1
  Ta  Ta15  1  0.166764  0.583398  0.592999  1
  Ta  Ta16  1  0.500097  0.250065  0.572972  1
  Ta  Ta17  1  0.500097  0.250065  0.633108  1
  Ta  Ta18  1  0.833430  0.916731  0.613548  1
  Ta  Ta19  1  0.833430  0.916731  0.674593  1
  Ta  Ta20  1  0.166764  0.583398  0.653094  1
  Ta  Ta21  1  0.166764  0.583398  0.710024  1
  Ta  Ta22  1  0.500097  0.250065  0.692137  1
