data_[K2W2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7978]
_cell_length_b [10.5022]
_cell_length_c [6.2562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KWCl6]
_chemical_formula_sum '[K2 W2 Cl12]'
_cell_volume [490.1250]
_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  0.0000  0.0000  1
  W  W1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  8  0.1203  0.3420  0.7671  1
  Cl  Cl3  4  0.2348  0.0000  0.6044  1
]