data_[Ce4S6O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.0045]
_cell_length_b [4.0498]
_cell_length_c [8.1008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ce2S3O]
_chemical_formula_sum '[Ce4 S6 O2]'
_cell_volume [262.2674]
_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  0.0113  0.0191  0.4959  1
  Ce  Ce1  2  0.5467  0.4863  0.7239  1
  S  S2  2  0.2817  0.0666  0.2407  1
  S  S3  2  0.6385  0.0012  0.4819  1
  S  S4  2  0.9160  0.4954  0.7452  1
  O  O5  2  0.2667  0.3046  0.0675  1
]