data_[K4Na8I4Cl16]
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/c]
_cell_length_a [11.1245]
_cell_length_b [13.3051]
_cell_length_c [8.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNa2ICl4]
_chemical_formula_sum '[K4 Na8 I4 Cl16]'
_cell_volume [1003.1622]
_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  0.0000  0.0000  1.0
  Na  Na1  4  0.0000  0.5000  0.0000  1.0
  Na  Na2  4  0.2500  0.2500  0.0000  1.0
  I  I3  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl4  8  0.0701  0.2824  0.5866  1.0
  Cl  Cl5  8  0.2481  0.0479  0.9597  1.0
]