data_[Ce12Al4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.2538]
_cell_length_b [11.6070]
_cell_length_c [5.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3AlO6]
_chemical_formula_sum '[Ce12 Al4 O24]'
_cell_volume [602.1373]
_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  8  0.1904  0.1065  0.0242  1.0
  Ce  Ce1  4  0.0000  0.3950  0.0639  1.0
  Al  Al2  4  0.0000  0.1939  0.4848  1.0
  O  O3  8  0.1494  0.2602  0.3306  1.0
  O  O4  8  0.1597  0.4868  0.7914  1.0
  O  O5  4  0.0000  0.0483  0.3730  1.0
  O  O6  4  0.0000  0.2146  0.8005  1.0
]