# generated using pymatgen data_Al2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83281340 _cell_length_b 8.30333332 _cell_length_c 8.92388149 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2O3 _chemical_formula_sum 'Al16 O24' _cell_volume 358.10162618 _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 0.67686530 0.15218739 0.20695781 1.0 Al Al1 1 0.82313470 0.65218739 0.70695781 1.0 Al Al2 1 0.68362265 0.83985975 0.01613572 1.0 Al Al3 1 0.81637735 0.33985975 0.51613572 1.0 Al Al4 1 0.31637735 0.16014025 0.51613572 1.0 Al Al5 1 0.17316852 0.03032059 0.00637254 1.0 Al Al6 1 0.68624665 0.15404788 0.79416558 1.0 Al Al7 1 0.18624665 0.34595212 0.79416558 1.0 Al Al8 1 0.31375335 0.84595212 0.29416558 1.0 Al Al9 1 0.82683148 0.96967941 0.50637254 1.0 Al Al10 1 0.67316852 0.46967941 0.00637254 1.0 Al Al11 1 0.17686530 0.34781361 0.20695781 1.0 Al Al12 1 0.32313470 0.84781261 0.70695781 1.0 Al Al13 1 0.81375335 0.65404788 0.29416558 1.0 Al Al14 1 0.32683148 0.53032059 0.50637254 1.0 Al Al15 1 0.18362265 0.66014025 0.01613572 1.0 O O16 1 0.97796213 0.51216048 0.14162491 1.0 O O17 1 0.34310037 0.83877325 0.90603009 1.0 O O18 1 0.02012737 0.82428916 0.13529275 1.0 O O19 1 0.48130448 0.66844071 0.64739213 1.0 O O20 1 0.84310037 0.66122675 0.90603009 1.0 O O21 1 0.34322838 0.16841656 0.88037385 1.0 O O22 1 0.97987263 0.17571084 0.63529275 1.0 O O23 1 0.15689963 0.33877325 0.40603009 1.0 O O24 1 0.98130448 0.83155929 0.64739213 1.0 O O25 1 0.52012737 0.67571084 0.13529275 1.0 O O26 1 0.52203787 0.01216048 0.64162491 1.0 O O27 1 0.65689963 0.16122675 0.40603009 1.0 O O28 1 0.65729377 0.50106884 0.41175562 1.0 O O29 1 0.51869552 0.33155929 0.14739213 1.0 O O30 1 0.01869552 0.16844071 0.14739213 1.0 O O31 1 0.02203787 0.48783952 0.64162491 1.0 O O32 1 0.15729377 0.99893116 0.41175562 1.0 O O33 1 0.15677162 0.66841656 0.38037385 1.0 O O34 1 0.47987263 0.32428916 0.63529275 1.0 O O35 1 0.65677162 0.83158344 0.38037385 1.0 O O36 1 0.47796213 0.98783952 0.14162491 1.0 O O37 1 0.84270623 0.00106884 0.91175562 1.0 O O38 1 0.34270623 0.49893116 0.91175562 1.0 O O39 1 0.84322838 0.33158344 0.88037385 1.0