data_[K4W2Cl16]
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 [16.9239]
_cell_length_b [6.4382]
_cell_length_c [7.0588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2WCl8]
_chemical_formula_sum '[K4 W2 Cl16]'
_cell_volume [758.7145]
_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  4  0.1726  0.0000  0.5737  1
  W  W1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0023  0.2499  0.2332  1
  Cl  Cl3  4  0.1405  0.0000  0.0480  1
  Cl  Cl4  4  0.1666  0.5000  0.5584  1
]