data_[Cs8Ce8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.9531]
_cell_length_b [7.8080]
_cell_length_c [7.8149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cs2Ce2S5]
_chemical_formula_sum '[Cs8 Ce8 S20]'
_cell_volume [1034.4561]
_cell_formula_units_Z [4]
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  8  0.2060  0.0000  0.0000  1.0
  Ce  Ce1  8  0.0000  0.1667  0.6667  1.0
  S  S2  16  0.1013  0.1424  0.3577  1.0
  S  S3  4  0.0000  0.0000  0.0000  1.0
]