data_[K4I8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4756]
_cell_length_b [15.5069]
_cell_length_c [8.9096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(ICl3)2]
_chemical_formula_sum '[K4 I8 Cl24]'
_cell_volume [1451.9102]
_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  0.0000  0.1354  0.7500  1.0
  I  I1  8  0.1603  0.4300  0.6677  1.0
  Cl  Cl2  8  0.1111  0.0236  0.1042  1.0
  Cl  Cl3  8  0.1115  0.4125  0.1015  1.0
  Cl  Cl4  8  0.2062  0.2739  0.7327  1.0
]