data_[Ce12Se12O4]
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 [Pnma]
_cell_length_a [12.2215]
_cell_length_b [4.1274]
_cell_length_c [13.3152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce3Se3O]
_chemical_formula_sum '[Ce12 Se12 O4]'
_cell_volume [671.6669]
_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  0.0266  0.2500  0.8419  1
  Ce  Ce1  4  0.1011  0.2500  0.3823  1
  Ce  Ce2  4  0.2378  0.2500  0.1266  1
  Se  Se3  4  0.0729  0.2500  0.6085  1
  Se  Se4  4  0.1430  0.7500  0.9877  1
  Se  Se5  4  0.2339  0.7500  0.2879  1
  O  O6  4  0.0561  0.2500  0.1993  1
]