data_[K1Na2I1Cl8]
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 [P-1]
_cell_length_a [6.3681]
_cell_length_b [6.9957]
_cell_length_c [9.3212]
_cell_angle_alpha [106.7780]
_cell_angle_beta [94.9669]
_cell_angle_gamma [97.0867]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNa2ICl8]
_chemical_formula_sum '[K1 Na2 I1 Cl8]'
_cell_volume [391.2605]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.4649  0.3234  0.3100  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1074  0.7569  0.7668  1.0
  Cl  Cl4  2  0.2435  0.8878  0.1779  1.0
  Cl  Cl5  2  0.2921  0.2735  0.0013  1.0
  Cl  Cl6  2  0.4312  0.2791  0.5816  1.0
]