# generated using pymatgen data_Al38O21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64119654 _cell_length_b 5.63986883 _cell_length_c 50.14751905 _cell_angle_alpha 90.70754521 _cell_angle_beta 91.31687664 _cell_angle_gamma 60.29595815 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al38O21 _chemical_formula_sum 'Al38 O21' _cell_volume 1385.45621881 _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 0.49077261 0.50191041 0.00171441 1.0 Al Al1 1 0.98999158 0.50181580 0.00203883 1.0 Al Al2 1 0.49031169 0.00151068 0.00185107 1.0 Al Al3 1 0.16160981 0.16757646 0.04905328 1.0 Al Al4 1 0.16269838 0.66863396 0.04899594 1.0 Al Al5 1 0.66176073 0.66743128 0.04902810 1.0 Al Al6 1 0.66291085 0.16875479 0.04898820 1.0 Al Al7 1 0.33332500 0.33335000 0.09523900 1.0 Al Al8 1 0.33332500 0.83335000 0.09523900 1.0 Al Al9 1 0.83332500 0.83335000 0.09523900 1.0 Al Al10 1 0.83332500 0.33335000 0.09523900 1.0 Al Al11 1 0.99999200 0.00001700 0.14285800 1.0 Al Al12 1 0.99999200 0.50001700 0.14285800 1.0 Al Al13 1 0.49999200 0.50001700 0.14285800 1.0 Al Al14 1 0.49999200 0.00001700 0.14285800 1.0 Al Al15 1 0.17857247 0.16658351 0.18874176 1.0 Al Al16 1 0.67270534 0.16284219 0.18876914 1.0 Al Al17 1 0.67806872 0.66920828 0.18905895 1.0 Al Al18 1 0.17342368 0.66401272 0.18925208 1.0 Al Al19 1 0.85184758 0.32933836 0.23287090 1.0 Al Al20 1 0.35312310 0.83499187 0.23355465 1.0 Al Al21 1 0.35866382 0.33554032 0.23941791 1.0 Al Al22 1 0.85649581 0.84113273 0.24126740 1.0 Al Al23 1 0.95469800 0.42726503 0.28175114 1.0 Al Al24 1 0.50711188 0.95196431 0.29316445 1.0 Al Al25 1 0.43586608 0.44139153 0.30939252 1.0 Al Al26 1 0.97729377 0.98360376 0.32435415 1.0 Al Al27 1 0.25549448 0.70652531 0.36846840 1.0 Al Al28 1 0.78933179 0.29043518 0.38169239 1.0 Al Al29 1 0.65202135 0.83722678 0.38497452 1.0 Al Al30 1 0.20933538 0.40895889 0.41745551 1.0 Al Al31 1 0.20562215 0.95335740 0.42874832 1.0 Al Al32 1 0.05628223 0.71380511 0.47542505 1.0 Al Al33 1 0.49974599 0.07478128 0.47840664 1.0 Al Al34 1 0.70129613 0.42584323 0.49302060 1.0 Al Al35 1 0.21689989 0.09942581 0.53343405 1.0 Al Al36 1 0.75222287 0.15863319 0.54729068 1.0 Al Al37 1 0.99029163 0.00204502 0.00177000 1.0 O O38 1 0.33546674 0.33033034 0.27950871 1.0 O O39 1 0.85159091 0.80152199 0.27826358 1.0 O O40 1 0.63022970 0.58930549 0.30114053 1.0 O O41 1 0.13517714 0.09955948 0.30244309 1.0 O O42 1 0.62515622 0.10065211 0.32161202 1.0 O O43 1 0.18485099 0.63100206 0.33295767 1.0 O O44 1 0.02609387 0.05795047 0.35902762 1.0 O O45 1 0.62017174 0.59551150 0.36141756 1.0 O O46 1 0.01816316 0.65800797 0.38903591 1.0 O O47 1 0.52875743 0.20086686 0.39067345 1.0 O O48 1 0.41557043 0.77303979 0.40199128 1.0 O O49 1 0.97309409 0.26747454 0.41165960 1.0 O O50 1 0.14436757 0.69504285 0.44004585 1.0 O O51 1 0.35912979 0.13183731 0.44400875 1.0 O O52 1 0.82898789 0.07336395 0.47918607 1.0 O O53 1 0.77994588 0.64676143 0.47529805 1.0 O O54 1 0.36912893 0.45357215 0.48802128 1.0 O O55 1 0.32293447 0.98680447 0.50050629 1.0 O O56 1 0.82699698 0.36931529 0.52632963 1.0 O O57 1 0.08849305 0.93447571 0.55359475 1.0 O O58 1 0.44631127 0.17909040 0.54877077 1.0