data_[Ce4Se4S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.2317]
_cell_length_b [4.1591]
_cell_length_c [8.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ce2Se2SO]
_chemical_formula_sum '[Ce4 Se4 S2 O2]'
_cell_volume [284.5634]
_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  0.0188  0.4899  0.0330  1
  Ce  Ce1  2  0.5324  0.0155  0.2546  1
  Se  Se2  2  0.6387  0.4965  0.0078  1
  Se  Se3  2  0.9140  0.0014  0.2742  1
  S  S4  2  0.2711  0.0618  0.5081  1
  O  O5  2  0.2861  0.2930  0.6774  1
]