data_[Ce4S2Br4O2]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0306]
_cell_length_b [11.4694]
_cell_length_c [7.2388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ce2SBr2O]
_chemical_formula_sum '[Ce4 S2 Br4 O2]'
_cell_volume [334.6413]
_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  0.0000  0.2833  0.2482  1
  Ce  Ce1  2  0.5000  0.4319  0.8384  1
  S  S2  2  0.0000  0.4459  0.5391  1
  Br  Br3  2  0.0000  0.2235  0.8550  1
  Br  Br4  2  0.5000  0.1146  0.3874  1
  O  O5  2  0.5000  0.3728  0.1776  1
]