data_[K2Ta2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2882]
_cell_length_b [9.7628]
_cell_length_c [6.6998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTaCl6]
_chemical_formula_sum '[K2 Ta2 Cl12]'
_cell_volume [503.3221]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0996  0.1708  0.2701  1.0
  Cl  Cl3  4  0.2244  0.5000  0.0311  1.0
]