data_[Cs2K6I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.0113]
_cell_length_b [10.3875]
_cell_length_c [8.9709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsK3I4]
_chemical_formula_sum '[Cs2 K6 I8]'
_cell_volume [791.6163]
_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  0.1257  0.2500  1
  K  K1  2  0.0000  0.3776  0.7500  1
  K  K2  2  0.5000  0.1283  0.7500  1
  K  K3  2  0.5000  0.3772  0.2500  1
  I  I4  4  0.2547  0.3849  0.5104  1
  I  I5  4  0.2687  0.1354  0.9982  1
]