data_[Ce6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7807]
_cell_length_b [9.7375]
_cell_length_c [6.1331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeO2]
_chemical_formula_sum '[Ce6 O12]'
_cell_volume [344.3564]
_cell_formula_units_Z [6]
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  0.0000  0.3155  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  O  O2  8  0.0986  0.1705  0.7939  1
  O  O3  4  0.1096  0.5000  0.2655  1
]