data_[Ce4Cr4S8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3037]
_cell_length_b [3.7781]
_cell_length_c [8.0269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCrS2O]
_chemical_formula_sum '[Ce4 Cr4 S8 O4]'
_cell_volume [342.7953]
_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
[
  Ce  Ce0  4  0.2347  0.5000  0.7066  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  2  0.0000  0.5000  0.0000  1.0
  S  S3  4  0.0488  0.5000  0.2977  1.0
  S  S4  4  0.1412  0.0000  0.9652  1.0
  O  O5  4  0.1736  0.0000  0.5668  1.0
]