data_[La1Ce1Al2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P4/mmm]
_cell_length_a [3.7953]
_cell_length_b [3.7953]
_cell_length_c [7.6062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaCeAl2O6]
_chemical_formula_sum '[La1 Ce1 Al2 O6]'
_cell_volume [109.5615]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.5000  0.5000  0.5000  1.0
  Ce  Ce1  1  0.5000  0.5000  0.0000  1.0
  Al  Al2  2  0.0000  0.0000  0.2489  1.0
  O  O3  4  0.0000  0.5000  0.2490  1.0
  O  O4  1  0.0000  0.0000  0.0000  1.0
  O  O5  1  0.0000  0.0000  0.5000  1.0
]