data_[K6Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7202]
_cell_length_b [4.0861]
_cell_length_c [8.2917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCl]
_chemical_formula_sum '[K6 Cl6]'
_cell_volume [371.6145]
_cell_formula_units_Z [6]
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  0.1605  0.5000  0.3072  1.0
  K  K1  2  0.3053  0.5000  0.9703  1.0
  K  K2  2  0.4696  0.5000  0.6111  1.0
  Cl  Cl3  2  0.0830  0.0000  0.9987  1.0
  Cl  Cl4  2  0.2497  0.0000  0.6423  1.0
  Cl  Cl5  2  0.3986  0.0000  0.3038  1.0
]