# generated using pymatgen data_Al2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59210000 _cell_length_b 5.88181415 _cell_length_c 14.19202876 _cell_angle_alpha 101.80323032 _cell_angle_beta 86.74462460 _cell_angle_gamma 115.41176828 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2O3 _chemical_formula_sum 'Al16 O24' _cell_volume 412.46690885 _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 1 0.91939400 0.02978800 0.09253600 1.0 Al Al1 1 0.96724400 0.48662300 0.26737800 1.0 Al Al2 1 0.63196600 0.05311800 0.42710000 1.0 Al Al3 1 0.40971500 0.01815700 0.12124900 1.0 Al Al4 1 0.74987000 0.94530800 0.28445500 1.0 Al Al5 1 0.26922700 0.05937700 0.26167500 1.0 Al Al6 1 0.38270800 0.48493600 0.44222700 1.0 Al Al7 1 0.12884600 0.95189900 0.81799000 1.0 Al Al8 1 0.29573400 0.53232800 0.61971600 1.0 Al Al9 1 0.10913900 0.95766000 0.44884000 1.0 Al Al10 1 0.22053500 0.98885600 0.65510100 1.0 Al Al11 1 0.68174400 0.08395800 0.60755100 1.0 Al Al12 1 0.04954800 0.36256900 0.84936700 1.0 Al Al13 1 0.61470900 0.79747800 0.84214300 1.0 Al Al14 1 0.00031400 0.59738200 0.05175900 1.0 Al Al15 1 0.51945100 0.10071900 0.93905900 1.0 O O16 1 0.39145600 0.79676200 0.25074200 1.0 O O17 1 0.07831700 0.24073100 0.26296500 1.0 O O18 1 0.35235700 0.84890700 0.05218900 1.0 O O19 1 0.91922500 0.79499800 0.25409400 1.0 O O20 1 0.12452500 0.78154500 0.58149900 1.0 O O21 1 0.75659100 0.21611500 0.10380100 1.0 O O22 1 0.47579200 0.29782700 0.56571500 1.0 O O23 1 0.74794800 0.78514200 0.41460900 1.0 O O24 1 0.62639600 0.22393500 0.27984100 1.0 O O25 1 0.92769000 0.69326900 0.12621700 1.0 O O26 1 0.60068100 0.84094600 0.56007000 1.0 O O27 1 0.90269800 0.70151400 0.93060900 1.0 O O28 1 0.25074300 0.23141200 0.11464400 1.0 O O29 1 0.44330200 0.26068300 0.41266200 1.0 O O30 1 0.39126700 0.38221200 0.89082100 1.0 O O31 1 0.51126800 0.85209500 0.71952100 1.0 O O32 1 0.02459200 0.24652200 0.59333200 1.0 O O33 1 0.28225200 0.79832000 0.40881900 1.0 O O34 1 0.41457000 0.85920100 0.89478000 1.0 O O35 1 0.00302400 0.27981900 0.40759800 1.0 O O36 1 0.91188300 0.14990800 0.79301400 1.0 O O37 1 0.86625300 0.17384800 0.96006500 1.0 O O38 1 0.02271500 0.70792500 0.76999600 1.0 O O39 1 0.35517700 0.24393800 0.72577500 1.0