data_[Cs1Ba2Ce1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [5.3035]
_cell_length_b [7.4237]
_cell_length_c [10.2913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [CsBa2CeCl8]
_chemical_formula_sum '[Cs1 Ba2 Ce1 Cl8]'
_cell_volume [405.1877]
_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  0.0000  0.5000  1.0
  Ba  Ba1  2  0.5000  0.5000  0.2505  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0000  0.2499  0.2088  1.0
  Cl  Cl4  2  0.5000  0.2176  0.0000  1.0
  Cl  Cl5  2  0.5000  0.2719  0.5000  1.0
]