data_[K4Cl12]
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 [C2/m]
_cell_length_a [12.4727]
_cell_length_b [6.0174]
_cell_length_c [8.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCl3]
_chemical_formula_sum '[K4 Cl12]'
_cell_volume [615.6244]
_cell_formula_units_Z [4]
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  0.1601  0.0000  0.7892  1.0
  Cl  Cl1  4  0.0973  0.0000  0.3952  1.0
  Cl  Cl2  4  0.1359  0.5000  0.9119  1.0
  Cl  Cl3  4  0.2252  0.0000  0.2456  1.0
]