data_[Ce4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8598]
_cell_length_b [4.0147]
_cell_length_c [8.0485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2S3]
_chemical_formula_sum '[Ce4 S6]'
_cell_volume [253.6222]
_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
[
  Ce  Ce0  2  0.1856  0.2500  0.6444  1.0
  Ce  Ce1  2  0.2604  0.2500  0.1181  1.0
  S  S2  2  0.1214  0.7500  0.8796  1.0
  S  S3  2  0.1781  0.7500  0.3913  1.0
  S  S4  2  0.4850  0.2500  0.8273  1.0
]