data_[Cs1K1Ce2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0423]
_cell_length_b [8.8805]
_cell_length_c [7.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsKCe2Cl8]
_chemical_formula_sum '[Cs1 K1 Ce2 Cl8]'
_cell_volume [464.8028]
_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  0.0000  0.5000  0.0000  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce2  2  0.5000  0.2453  0.5000  1.0
  Cl  Cl3  4  0.2673  0.2316  0.2046  1.0
  Cl  Cl4  2  0.2957  0.0000  0.6432  1.0
  Cl  Cl5  2  0.2999  0.5000  0.6314  1.0
]