data_[Al8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.4001]
_cell_length_b [11.5534]
_cell_length_c [5.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Al2O3]
_chemical_formula_sum '[Al8 O12]'
_cell_volume [194.9633]
_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
[
  Al  Al0  4  0.1609  0.0555  0.2867  1.0
  Al  Al1  4  0.3868  0.1625  0.8093  1.0
  O  O2  4  0.0558  0.6147  0.5610  1.0
  O  O3  4  0.3265  0.5018  0.1841  1.0
  O  O4  4  0.3384  0.1957  0.4590  1.0
]