data_[K1Na2I1Cl6]
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 [P1]
_cell_length_a [7.2016]
_cell_length_b [7.4165]
_cell_length_c [7.6492]
_cell_angle_alpha [65.3831]
_cell_angle_beta [87.0068]
_cell_angle_gamma [67.4708]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KNa2ICl6]
_chemical_formula_sum '[K1 Na2 I1 Cl6]'
_cell_volume [340.2547]
_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  0.1737  0.6329  0.5672  1.0
  Na  Na1  1  0.4284  0.0897  0.3932  1.0
  Na  Na2  1  0.9632  0.1010  0.9132  1.0
  I  I3  1  0.6750  0.6537  0.0541  1.0
  Cl  Cl4  1  0.1540  0.0416  0.2276  1.0
  Cl  Cl5  1  0.2202  0.1794  0.6626  1.0
  Cl  Cl6  1  0.5518  0.4315  0.3445  1.0
  Cl  Cl7  1  0.5986  0.4833  0.8544  1.0
  Cl  Cl8  1  0.7627  0.8342  0.2371  1.0
  Cl  Cl9  1  0.8110  0.8760  0.7613  1.0
]