data_[K2Na1I1Cl6]
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 [6.0518]
_cell_length_b [7.7200]
_cell_length_c [8.2783]
_cell_angle_alpha [110.7083]
_cell_angle_beta [109.5837]
_cell_angle_gamma [90.7417]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2NaICl6]
_chemical_formula_sum '[K2 Na1 I1 Cl6]'
_cell_volume [337.0310]
_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  2  0.2082  0.2924  0.4986  1.0
  Na  Na1  1  0.0000  0.5000  0.0000  1.0
  I  I2  1  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1565  0.1248  0.8185  1.0
  Cl  Cl4  2  0.2457  0.6393  0.3729  1.0
  Cl  Cl5  2  0.2467  0.6827  0.8565  1.0
]