data_[Cs2K6Na4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.8949]
_cell_length_b [5.0239]
_cell_length_c [10.1542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK3Na2I6]
_chemical_formula_sum '[Cs2 K6 Na4 I12]'
_cell_volume [1086.2588]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.0000  1.0
  K  K1  4  0.1632  0.0000  0.8290  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Na  Na3  4  0.1729  0.0000  0.3448  1.0
  I  I4  4  0.0100  0.0000  0.2743  1.0
  I  I5  4  0.1723  0.5000  0.5715  1.0
  I  I6  4  0.1745  0.5000  0.1058  1.0
]