data_[K2I2Cl6]
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 [P-1]
_cell_length_a [5.1602]
_cell_length_b [8.1617]
_cell_length_c [9.3888]
_cell_angle_alpha [67.8981]
_cell_angle_beta [74.1293]
_cell_angle_gamma [85.8132]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KICl3]
_chemical_formula_sum '[K2 I2 Cl6]'
_cell_volume [352.2007]
_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  2  0.1812  0.1898  0.6358  1.0
  I  I1  2  0.3999  0.6146  0.8491  1.0
  Cl  Cl2  2  0.1772  0.8323  0.9700  1.0
  Cl  Cl3  2  0.2132  0.8213  0.5803  1.0
  Cl  Cl4  2  0.3832  0.5778  0.3081  1.0
]