data_[Cs1K2Ce1I8]
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
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7457]
_cell_length_b [8.3396]
_cell_length_c [10.4407]
_cell_angle_alpha [88.8305]
_cell_angle_beta [72.1338]
_cell_angle_gamma [85.8624]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsK2CeI8]
_chemical_formula_sum '[Cs1 K2 Ce1 I8]'
_cell_volume [557.5754]
_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
[
  Cs  Cs0  1  0.5000  0.0000  0.5000  1.0
  K  K1  2  0.1294  0.4671  0.1874  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1107  0.0270  0.2597  1.0
  I  I4  2  0.2548  0.4998  0.4954  1.0
  I  I5  2  0.3025  0.2432  0.8582  1.0
  I  I6  2  0.3230  0.7231  0.8927  1.0
]