data_[La8Al8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4200]
_cell_length_b [9.9579]
_cell_length_c [5.8616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaAlO3]
_chemical_formula_sum '[La8 Al8 O24]'
_cell_volume [588.7484]
_cell_formula_units_Z [8]
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  4  0.0000  0.0995  0.2500  1.0
  La  La1  4  0.0000  0.3232  0.7500  1.0
  Al  Al2  8  0.2077  0.4103  0.2597  1.0
  O  O3  8  0.1182  0.1117  0.6574  1.0
  O  O4  8  0.1222  0.2658  0.1339  1.0
  O  O5  8  0.1544  0.4723  0.5130  1.0
]