data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   7.3
_cell_angle_alpha   106.54
_cell_angle_beta   106.54
_cell_angle_gamma   34.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2O3
_chemical_formula_sum   'Al4 O6'
_cell_volume   113.93
_cell_formula_units_Z   2
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  0.08  0.0  0.84  1.0
  Al  Al1  1  0.35  0.0  0.09  1.0
  Al  Al2  1  1.0  0.0  0.13  1.0
  Al  Al3  1  0.73  0.0  0.88  1.0
  O  O4  1  0.59  0.0  0.39  1.0
  O  O5  1  0.13  0.0  0.51  1.0
  O  O6  1  0.94  0.0  0.46  1.0
  O  O7  1  0.72  0.0  0.46  1.0
  O  O8  1  0.36  0.0  0.5  1.0
  O  O9  1  0.49  0.0  0.57  1.0

data_Al2O3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.19
_cell_length_b   5.37
_cell_length_c   7.3
_cell_angle_alpha   106.54
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2O3
_chemical_formula_sum   'Al4 O6'
_cell_volume   113.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.19  0.9  1.0
  Al  Al1  2  0.0  0.46  0.14  1.0
  O  O2  2  0.0  0.05  0.41  1.0
  O  O3  2  0.0  0.18  0.48  1.0
  O  O4  2  0.0  0.4  0.48  1.0

Al Al Al Al O O O O O O
Al Al Al Al O O O O O O 0 2 - o + 0 3 - o o 0 1 o o + 1 2 - o o 1 4 o o o 2 3 o o - 3 9 o o o 4 7 o o o 5 6 - o o 8 9 o o o 