data_[Al8O24]
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 [C2/c]
_cell_length_a [9.5093]
_cell_length_b [5.4839]
_cell_length_c [9.9517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlO3]
_chemical_formula_sum '[Al8 O24]'
_cell_volume [507.9025]
_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
[
  Al  Al0  8  0.1665  0.4999  1.0000  1
  O  O1  8  0.0206  0.4222  0.5952  1
  O  O2  8  0.1904  0.2108  0.4050  1
  O  O3  8  0.2322  0.2115  0.0954  1
]