data_[K4I2Cl12]
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/m]
_cell_length_a [13.8232]
_cell_length_b [7.0787]
_cell_length_c [6.4928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2ICl6]
_chemical_formula_sum '[K4 I2 Cl12]'
_cell_volume [606.2301]
_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  0.2278  0.5000  0.2067  1.0
  I  I1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0634  0.2500  0.7994  1.0
  Cl  Cl3  4  0.2195  0.0000  0.2836  1.0
]