# generated using pymatgen data_Al2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65803700 _cell_length_b 5.65688200 _cell_length_c 24.26605600 _cell_angle_alpha 77.35923953 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2O3 _chemical_formula_sum 'Al32 O48' _cell_volume 757.85426608 _cell_formula_units_Z 16 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 0.24696200 0.30849000 0.20895600 1.0 Al Al1 1 0.26456400 0.03713800 0.95876800 1.0 Al Al2 1 0.23422700 0.17742300 0.07915000 1.0 Al Al3 1 0.23395400 0.67016200 0.08006200 1.0 Al Al4 1 0.24696200 0.69151000 0.29104400 1.0 Al Al5 1 0.23422700 0.82257700 0.42085000 1.0 Al Al6 1 0.23395400 0.32983800 0.41993800 1.0 Al Al7 1 0.25005700 0.37695100 0.62337300 1.0 Al Al8 1 0.26456400 0.96286200 0.54123200 1.0 Al Al9 1 0.25395900 0.50000000 0.75000000 1.0 Al Al10 1 0.25005700 0.62304900 0.87662700 1.0 Al Al11 1 0.00791400 0.85050100 0.66954400 1.0 Al Al12 1 0.00791400 0.14949900 0.83045600 1.0 Al Al13 1 0.99208600 0.85050100 0.16954400 1.0 Al Al14 1 0.99208600 0.14949900 0.33045600 1.0 Al Al15 1 0.73543600 0.96286200 0.04123200 1.0 Al Al16 1 0.74994300 0.62304900 0.37662700 1.0 Al Al17 1 0.75303800 0.30849000 0.70895600 1.0 Al Al18 1 0.76604600 0.32983800 0.91993800 1.0 Al Al19 1 0.76604600 0.67016200 0.58006200 1.0 Al Al20 1 0.73543600 0.03713800 0.45876800 1.0 Al Al21 1 0.75303800 0.69151000 0.79104400 1.0 Al Al22 1 0.74604100 0.50000000 0.25000000 1.0 Al Al23 1 0.74994300 0.37695100 0.12337300 1.0 Al Al24 1 0.76577300 0.82257700 0.92085000 1.0 Al Al25 1 0.76577300 0.17742300 0.57915000 1.0 Al Al26 1 0.50030200 0.15200800 0.32968400 1.0 Al Al27 1 0.50000000 0.50000000 0.50000000 1.0 Al Al28 1 0.50000000 0.50000000 0.00000000 1.0 Al Al29 1 0.50030200 0.84799200 0.17031600 1.0 Al Al30 1 0.49969800 0.15200800 0.82968400 1.0 Al Al31 1 0.49969800 0.84799200 0.67031600 1.0 O O32 1 0.27028800 0.25072000 0.00211900 1.0 O O33 1 0.26922000 0.74284100 0.00244100 1.0 O O34 1 0.24775500 0.07676500 0.16556400 1.0 O O35 1 0.24785400 0.61564000 0.16250300 1.0 O O36 1 0.27028800 0.74928000 0.49788100 1.0 O O37 1 0.26922000 0.25715900 0.49755900 1.0 O O38 1 0.25400000 0.60471300 0.66668100 1.0 O O39 1 0.25412900 0.07061400 0.66046200 1.0 O O40 1 0.25400000 0.39528700 0.83331900 1.0 O O41 1 0.25412900 0.92938600 0.83953800 1.0 O O42 1 0.24775500 0.92323500 0.33443600 1.0 O O43 1 0.24785400 0.38436000 0.33749700 1.0 O O44 1 0.02277100 0.41436100 0.08872300 1.0 O O45 1 0.99175200 0.08322900 0.91449400 1.0 O O46 1 0.00666600 0.73436900 0.74628500 1.0 O O47 1 0.00666600 0.26563100 0.75371500 1.0 O O48 1 0.00824800 0.08322900 0.41449400 1.0 O O49 1 0.02277100 0.58563900 0.41127700 1.0 O O50 1 0.00824800 0.91677100 0.08550600 1.0 O O51 1 0.99333400 0.26563100 0.25371500 1.0 O O52 1 0.97722900 0.58563900 0.91127700 1.0 O O53 1 0.99175200 0.91677100 0.58550600 1.0 O O54 1 0.97722900 0.41436100 0.58872300 1.0 O O55 1 0.99333400 0.73436900 0.24628500 1.0 O O56 1 0.73078000 0.25715900 0.99755900 1.0 O O57 1 0.74587100 0.92938600 0.33953800 1.0 O O58 1 0.75214600 0.61564000 0.66250300 1.0 O O59 1 0.75214600 0.38436000 0.83749700 1.0 O O60 1 0.73078000 0.74284100 0.50244100 1.0 O O61 1 0.74600000 0.39528700 0.33331900 1.0 O O62 1 0.75224500 0.07676500 0.66556400 1.0 O O63 1 0.74587100 0.07061400 0.16046200 1.0 O O64 1 0.72971200 0.74928000 0.99788100 1.0 O O65 1 0.75224500 0.92323500 0.83443600 1.0 O O66 1 0.72971200 0.25072000 0.50211900 1.0 O O67 1 0.74600000 0.60471300 0.16668100 1.0 O O68 1 0.50081100 0.73261200 0.24777000 1.0 O O69 1 0.51974700 0.42348300 0.58050800 1.0 O O70 1 0.52672400 0.91824100 0.58605800 1.0 O O71 1 0.51974700 0.57651700 0.91949200 1.0 O O72 1 0.50081100 0.26738800 0.25223000 1.0 O O73 1 0.47327600 0.91824100 0.08605800 1.0 O O74 1 0.48025300 0.57651700 0.41949200 1.0 O O75 1 0.47327600 0.08175900 0.41394200 1.0 O O76 1 0.49918900 0.26738800 0.75223000 1.0 O O77 1 0.49918900 0.73261200 0.74777000 1.0 O O78 1 0.52672400 0.08175900 0.91394200 1.0 O O79 1 0.48025300 0.42348300 0.08050800 1.0