data_[Al6O9]
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 [P1]
_cell_length_a [2.9190]
_cell_length_b [18.7926]
_cell_length_c [18.7926]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al2O3]
_chemical_formula_sum '[Al6 O9]'
_cell_volume [892.7746]
_cell_formula_units_Z [3]
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  1  0.3626  0.0799  0.6036  1
  Al  Al1  1  0.4556  0.9923  0.3580  1
  Al  Al2  1  0.4814  0.8908  0.5037  1
  Al  Al3  1  0.9030  0.1607  0.5050  1
  Al  Al4  1  0.9755  0.8819  0.3750  1
  Al  Al5  1  0.9866  0.9783  0.6483  1
  O  O6  1  0.0368  0.9781  0.5509  1
  O  O7  1  0.4030  0.2096  0.5167  1
  O  O8  1  0.4732  0.0568  0.6861  1
  O  O9  1  0.4766  0.9376  0.4212  1
  O  O10  1  0.5045  0.9028  0.6081  1
  O  O11  1  0.8616  0.1242  0.5850  1
  O  O12  1  0.9458  0.0620  0.4035  1
  O  O13  1  0.9725  0.9143  0.3001  1
  O  O14  1  0.9758  0.8308  0.4349  1
]