data_[K2Na2I2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5426]
_cell_length_b [11.7431]
_cell_length_c [7.0076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KNaICl6]
_chemical_formula_sum '[K2 Na2 I2 Cl12]'
_cell_volume [620.2271]
_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  0.0000  0.9937  0.5000  1.0
  Na  Na1  2  0.0000  0.6886  0.0000  1.0
  I  I2  2  0.0000  0.3347  0.0000  1.0
  Cl  Cl3  4  0.1370  0.4900  0.2049  1.0
  Cl  Cl4  4  0.1608  0.1870  0.2014  1.0
  Cl  Cl5  4  0.1894  0.8136  0.2577  1.0
]