data_[Ce8S6O8]
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 [Pbam]
_cell_length_a [7.5648]
_cell_length_b [14.0288]
_cell_length_c [3.9818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ce4S3O4]
_chemical_formula_sum '[Ce8 S6 O8]'
_cell_volume [422.5748]
_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  4  0.1711  0.6868  0.5000  1
  Ce  Ce1  4  0.2087  0.4274  0.0000  1
  S  S2  4  0.0271  0.1875  0.0000  1
  S  S3  2  0.0000  0.0000  0.5000  1
  O  O4  4  0.1102  0.5877  0.0000  1
  O  O5  4  0.1580  0.3416  0.5000  1
]