# generated using pymatgen
data_K2TaCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98323280
_cell_length_b   6.98323223
_cell_length_c   6.98323043
_cell_angle_alpha   59.99999415
_cell_angle_beta   59.99999677
_cell_angle_gamma   59.99997907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaCl6
_chemical_formula_sum   'K2 Ta1 Cl6'
_cell_volume   240.79877972
_cell_formula_units_Z   1
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
  K  K0  1  0.75000000  0.75000000  0.75000000  1.0
  K  K1  1  0.25000000  0.25000000  0.25000000  1.0
  Ta  Ta2  1  0.00000000  -0.00000000  0.00000000  1.0
  Cl  Cl3  1  0.24370059  0.75629941  0.75629941  1.0
  Cl  Cl4  1  0.75629941  0.24370059  0.75629941  1.0
  Cl  Cl5  1  0.75629941  0.75629941  0.24370059  1.0
  Cl  Cl6  1  0.75629941  0.24370059  0.24370059  1.0
  Cl  Cl7  1  0.24370059  0.24370059  0.75629941  1.0
  Cl  Cl8  1  0.24370059  0.75629941  0.24370059  1.0