data_[Cs4K6Na2I12]
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 [8.9739]
_cell_length_b [15.6120]
_cell_length_c [8.9041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K3NaI6]
_chemical_formula_sum '[Cs4 K6 Na2 I12]'
_cell_volume [1173.2193]
_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  4  0.0000  0.3335  0.0000  1
  K  K1  4  0.0000  0.1716  0.5000  1
  K  K2  2  0.0000  0.5000  0.5000  1
  Na  Na3  2  0.0000  0.0000  0.0000  1
  I  I4  8  0.2408  0.1536  0.2602  1
  I  I5  4  0.2114  0.0000  0.7502  1
]