# generated using pymatgen data_Al38O21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61324138 _cell_length_b 5.65972576 _cell_length_c 51.26456301 _cell_angle_alpha 89.66909869 _cell_angle_beta 90.83000344 _cell_angle_gamma 60.65785663 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al38O21 _chemical_formula_sum 'Al38 O21' _cell_volume 1419.40061162 _cell_formula_units_Z 1 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 0.46188098 0.52589761 0.00764945 1.0 Al Al1 1 0.96030817 0.52736858 0.00767212 1.0 Al Al2 1 0.46162117 0.02560021 0.00778981 1.0 Al Al3 1 0.14111958 0.18772375 0.05353973 1.0 Al Al4 1 0.14488968 0.68595067 0.05355362 1.0 Al Al5 1 0.64188194 0.68720037 0.05365538 1.0 Al Al6 1 0.64538797 0.18506799 0.05360679 1.0 Al Al7 1 0.31925080 0.34382800 0.09859115 1.0 Al Al8 1 0.31873009 0.84482804 0.09858776 1.0 Al Al9 1 0.82170833 0.84196989 0.09866349 1.0 Al Al10 1 0.81761924 0.34379033 0.09847694 1.0 Al Al11 1 0.99551566 0.00826492 0.14471678 1.0 Al Al12 1 0.99439847 0.50488337 0.14401035 1.0 Al Al13 1 0.49405558 0.50852835 0.14469431 1.0 Al Al14 1 0.49620368 0.00511652 0.14407038 1.0 Al Al15 1 0.17246731 0.16803160 0.18906853 1.0 Al Al16 1 0.66905689 0.16154500 0.18956130 1.0 Al Al17 1 0.67159791 0.66893446 0.18945624 1.0 Al Al18 1 0.16938219 0.66053165 0.18987321 1.0 Al Al19 1 0.85043680 0.33328501 0.23277829 1.0 Al Al20 1 0.34599418 0.84039571 0.23276651 1.0 Al Al21 1 0.35411420 0.34318827 0.23946790 1.0 Al Al22 1 0.84607589 0.84715339 0.23970991 1.0 Al Al23 1 0.95554845 0.43581973 0.28061934 1.0 Al Al24 1 0.51335713 0.96014851 0.29245107 1.0 Al Al25 1 0.43878631 0.44923116 0.30857887 1.0 Al Al26 1 0.98676111 0.99198708 0.32376539 1.0 Al Al27 1 0.26195291 0.72468753 0.36776109 1.0 Al Al28 1 0.80266201 0.29684538 0.37969029 1.0 Al Al29 1 0.66009209 0.83872179 0.38472357 1.0 Al Al30 1 0.24562406 0.37841345 0.41293216 1.0 Al Al31 1 0.18644642 0.94831172 0.42826491 1.0 Al Al32 1 0.15579525 0.68448577 0.47237820 1.0 Al Al33 1 0.63490249 0.06395106 0.46348973 1.0 Al Al34 1 0.64901870 0.54464165 0.49549957 1.0 Al Al35 1 0.19221941 0.02404206 0.52777130 1.0 Al Al36 1 0.72296421 0.11077912 0.53991993 1.0 Al Al37 1 0.96190909 0.02733215 0.00739368 1.0 O O38 1 0.33455850 0.34550153 0.27907535 1.0 O O39 1 0.84366424 0.80981771 0.27565908 1.0 O O40 1 0.63725410 0.59569520 0.30040096 1.0 O O41 1 0.14065848 0.10292829 0.30088924 1.0 O O42 1 0.63541592 0.10462863 0.31945287 1.0 O O43 1 0.19783685 0.64136558 0.33232494 1.0 O O44 1 0.03064078 0.07042344 0.35700370 1.0 O O45 1 0.63013330 0.60726104 0.36092975 1.0 O O46 1 0.02654500 0.66615503 0.38792643 1.0 O O47 1 0.54286785 0.20185898 0.38823576 1.0 O O48 1 0.39831728 0.79730058 0.39943962 1.0 O O49 1 0.98491033 0.26995895 0.40909223 1.0 O O50 1 0.23940309 0.60776211 0.43724393 1.0 O O51 1 0.41371846 0.07911628 0.43845308 1.0 O O52 1 0.95641676 0.03603915 0.45709746 1.0 O O53 1 0.81717236 0.71649408 0.48061825 1.0 O O54 1 0.47626386 0.36812891 0.48163345 1.0 O O55 1 0.30767499 0.82351459 0.49877861 1.0 O O56 1 0.83297063 0.31652885 0.52143745 1.0 O O57 1 0.05004654 0.88238177 0.54896925 1.0 O O58 1 0.42692829 0.11248544 0.53870855 1.0