data_[Ce21O36]
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 [R-3]
_cell_length_a [10.3702]
_cell_length_b [10.3702]
_cell_length_c [9.5998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce7O12]
_chemical_formula_sum '[Ce21 O36]'
_cell_volume [894.0635]
_cell_formula_units_Z [3]
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  18  0.0465  0.7919  0.6537  1.0
  Ce  Ce1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0349  0.8150  0.3976  1.0
  O  O3  18  0.0366  0.8219  0.8937  1.0
]