data_[Ce4Al4O14]
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 [Imm2]
_cell_length_a [3.6562]
_cell_length_b [10.4761]
_cell_length_c [6.7641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2Al2O7]
_chemical_formula_sum '[Ce4 Al4 O14]'
_cell_volume [259.0837]
_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  4  0.0000  0.2413  0.5459  1
  Al  Al1  2  0.0000  0.0000  0.0156  1
  Al  Al2  2  0.0000  0.5000  0.8491  1
  O  O3  4  0.0000  0.1260  0.2558  1
  O  O4  4  0.0000  0.1482  0.8671  1
  O  O5  4  0.0000  0.3791  0.0382  1
  O  O6  2  0.0000  0.5000  0.5751  1
]