# generated using pymatgen
data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79280399
_cell_length_b   2.90747708
_cell_length_c   5.61515557
_cell_angle_alpha   90.00000000
_cell_angle_beta   104.06324559
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2O3
_chemical_formula_sum   'Al8 O12'
_cell_volume   186.75811646
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Al3+  3.0
  O2-  -2.0
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
  Al3+  Al0  1  0.09047209  0.00000000  0.79564631  1
  Al3+  Al1  1  0.40952791  0.50000000  0.20435369  1
  Al3+  Al2  1  0.34196763  0.00000000  0.68253788  1
  Al3+  Al3  1  0.15803237  0.50000000  0.31746212  1
  Al3+  Al4  1  0.59047209  0.50000000  0.79564631  1
  Al3+  Al5  1  0.90952791  0.00000000  0.20435369  1
  Al3+  Al6  1  0.84196763  0.50000000  0.68253788  1
  Al3+  Al7  1  0.65803237  0.00000000  0.31746212  1
  O2-  O8  1  0.16067884  0.00000000  0.10901396  1
  O2-  O9  1  0.33932116  0.50000000  0.89098604  1
  O2-  O10  1  0.49521596  0.00000000  0.25754623  1
  O2-  O11  1  0.00478404  0.50000000  0.74245377  1
  O2-  O12  1  0.32650925  0.50000000  0.43309489  1
  O2-  O13  1  0.17349075  0.00000000  0.56690511  1
  O2-  O14  1  0.66067884  0.50000000  0.10901396  1
  O2-  O15  1  0.83932116  0.00000000  0.89098604  1
  O2-  O16  1  0.99521596  0.50000000  0.25754623  1
  O2-  O17  1  0.50478404  0.00000000  0.74245377  1
  O2-  O18  1  0.82650925  0.00000000  0.43309489  1
  O2-  O19  1  0.67349075  0.50000000  0.56690511  1