data_[Ce8W16S12O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.0380]
_cell_length_b [7.2033]
_cell_length_c [13.5936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2W4S3O14]
_chemical_formula_sum '[Ce8 W16 S12 O56]'
_cell_volume [1555.9517]
_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  8  0.0952  0.4882  0.4485  1
  W  W1  8  0.0597  0.2059  0.1670  1
  W  W2  8  0.2410  0.0252  0.7539  1
  S  S3  8  0.1869  0.0015  0.9981  1
  S  S4  4  0.0000  0.2117  0.7500  1
  O  O5  8  0.0369  0.0955  0.6759  1
  O  O6  8  0.0464  0.4570  0.0869  1
  O  O7  8  0.0686  0.3279  0.8020  1
  O  O8  8  0.1341  0.1664  0.0107  1
  O  O9  8  0.1342  0.1641  0.4797  1
  O  O10  8  0.2423  0.0307  0.9192  1
  O  O11  8  0.2498  0.0250  0.5913  1
]