data_[Cs1K2W1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-1]
_cell_length_a [5.5039]
_cell_length_b [8.3229]
_cell_length_c [9.5605]
_cell_angle_alpha [73.5549]
_cell_angle_beta [75.1278]
_cell_angle_gamma [73.5454]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsK2WCl8]
_chemical_formula_sum '[Cs1 K2 W1 Cl8]'
_cell_volume [395.3440]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  K  K1  2  0.1757  0.4675  0.7035  1.0
  W  W2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1083  0.2265  0.0600  1.0
  Cl  Cl4  2  0.2526  0.7892  0.1629  1.0
  Cl  Cl5  2  0.3459  0.9895  0.8050  1.0
  Cl  Cl6  2  0.3642  0.3263  0.4229  1.0
]