# generated using pymatgen
data_TaCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.21079711
_cell_length_b   14.21079711
_cell_length_c   14.21079711
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCl3
_chemical_formula_sum   'Ta12 Cl36'
_cell_volume   2029.27226086
_cell_formula_units_Z   12
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  Ta0  1  0.60884000  0.60884000  0.39116000  1.0
  Ta  Ta1  1  0.39116000  0.39116000  0.60884000  1.0
  Ta  Ta2  1  0.60884000  0.39116000  0.60884000  1.0
  Ta  Ta3  1  0.39116000  0.60884000  0.39116000  1.0
  Ta  Ta4  1  0.39116000  0.60884000  0.60884000  1.0
  Ta  Ta5  1  0.60884000  0.39116000  0.39116000  1.0
  Ta  Ta6  1  0.64116000  0.64116000  0.85884000  1.0
  Ta  Ta7  1  0.85884000  0.85884000  0.64116000  1.0
  Ta  Ta8  1  0.64116000  0.85884000  0.64116000  1.0
  Ta  Ta9  1  0.85884000  0.64116000  0.85884000  1.0
  Ta  Ta10  1  0.85884000  0.64116000  0.64116000  1.0
  Ta  Ta11  1  0.64116000  0.85884000  0.85884000  1.0
  Cl  Cl12  1  0.72815000  0.72815000  0.27185000  1.0
  Cl  Cl13  1  0.27185000  0.27185000  0.72815000  1.0
  Cl  Cl14  1  0.72815000  0.27185000  0.72815000  1.0
  Cl  Cl15  1  0.27185000  0.72815000  0.27185000  1.0
  Cl  Cl16  1  0.27185000  0.72815000  0.72815000  1.0
  Cl  Cl17  1  0.72815000  0.27185000  0.27185000  1.0
  Cl  Cl18  1  0.52185000  0.52185000  0.97815000  1.0
  Cl  Cl19  1  0.97815000  0.97815000  0.52185000  1.0
  Cl  Cl20  1  0.52185000  0.97815000  0.52185000  1.0
  Cl  Cl21  1  0.97815000  0.52185000  0.97815000  1.0
  Cl  Cl22  1  0.97815000  0.52185000  0.52185000  1.0
  Cl  Cl23  1  0.52185000  0.97815000  0.97815000  1.0
  Cl  Cl24  1  0.74234200  0.25861300  0.49952300  1.0
  Cl  Cl25  1  0.25861300  0.74234200  0.49952300  1.0
  Cl  Cl26  1  0.49952300  0.49952300  0.74234200  1.0
  Cl  Cl27  1  0.49952300  0.49952300  0.25861300  1.0
  Cl  Cl28  1  0.25861300  0.49952300  0.74234200  1.0
  Cl  Cl29  1  0.74234200  0.49952300  0.25861300  1.0
  Cl  Cl30  1  0.49952300  0.74234200  0.49952300  1.0
  Cl  Cl31  1  0.49952300  0.25861300  0.49952300  1.0
  Cl  Cl32  1  0.49952300  0.74234200  0.25861300  1.0
  Cl  Cl33  1  0.49952300  0.25861300  0.74234200  1.0
  Cl  Cl34  1  0.74234200  0.49952300  0.49952300  1.0
  Cl  Cl35  1  0.25861300  0.49952300  0.49952300  1.0
  Cl  Cl36  1  0.50765800  0.99138700  0.75047700  1.0
  Cl  Cl37  1  0.99138700  0.50765800  0.75047700  1.0
  Cl  Cl38  1  0.75047700  0.75047700  0.50765800  1.0
  Cl  Cl39  1  0.75047700  0.75047700  0.99138700  1.0
  Cl  Cl40  1  0.99138700  0.75047700  0.50765800  1.0
  Cl  Cl41  1  0.50765800  0.75047700  0.99138700  1.0
  Cl  Cl42  1  0.75047700  0.50765800  0.75047700  1.0
  Cl  Cl43  1  0.75047700  0.99138700  0.75047700  1.0
  Cl  Cl44  1  0.75047700  0.50765800  0.99138700  1.0
  Cl  Cl45  1  0.75047700  0.99138700  0.50765800  1.0
  Cl  Cl46  1  0.50765800  0.75047700  0.75047700  1.0
  Cl  Cl47  1  0.99138700  0.75047700  0.75047700  1.0