data_[Ce4Se6O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.4301]
_cell_length_b [4.1553]
_cell_length_c [8.4005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ce2Se3O]
_chemical_formula_sum '[Ce4 Se6 O2]'
_cell_volume [293.1568]
_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  0.0165  0.0094  0.5019  1
  Ce  Ce1  2  0.5396  0.4998  0.7050  1
  Se  Se2  2  0.2855  0.0489  0.2628  1
  Se  Se3  2  0.6425  0.0020  0.9705  1
  Se  Se4  2  0.9138  0.4977  0.7446  1
  O  O5  2  0.2631  0.2878  0.0702  1
]