# generated using pymatgen data_Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.98330792 _cell_length_b 12.33519817 _cell_length_c 12.27492286 _cell_angle_alpha 92.56703388 _cell_angle_beta 82.72866873 _cell_angle_gamma 85.67109359 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al _chemical_formula_sum Al100 _cell_volume 1791.99881410 _cell_formula_units_Z 100 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 0.00967384 0.73744592 0.30432668 1.0 Al Al1 1 0.35792827 0.03269385 0.35822150 1.0 Al Al2 1 0.64835955 0.40883578 0.62877638 1.0 Al Al3 1 0.49740670 0.69000104 0.92141516 1.0 Al Al4 1 0.81284625 0.30918537 0.00047624 1.0 Al Al5 1 0.78640022 0.85863260 0.93919516 1.0 Al Al6 1 0.98808510 0.31467739 0.30624156 1.0 Al Al7 1 0.31312912 0.17824009 0.70529906 1.0 Al Al8 1 0.94627299 0.52548458 0.26396947 1.0 Al Al9 1 0.25304712 0.04790194 0.17230238 1.0 Al Al10 1 0.37187960 0.30520610 0.95610140 1.0 Al Al11 1 0.73606740 0.62181621 0.21400946 1.0 Al Al12 1 0.74903161 0.66016465 0.64616206 1.0 Al Al13 1 0.10538032 0.46361867 0.44486543 1.0 Al Al14 1 0.14400826 0.01055599 0.98827001 1.0 Al Al15 1 0.70341681 0.65994917 0.00058155 1.0 Al Al16 1 0.18494975 0.43005281 0.22713325 1.0 Al Al17 1 0.18165639 0.21369973 0.89731374 1.0 Al Al18 1 0.72295412 0.02444297 0.18984772 1.0 Al Al19 1 0.12819582 0.22623400 0.12541575 1.0 Al Al20 1 0.68751740 0.68954555 0.43271905 1.0 Al Al21 1 0.67585741 0.16169267 0.78215478 1.0 Al Al22 1 0.15044259 0.77518813 0.95213978 1.0 Al Al23 1 0.36388207 0.37509300 0.35753522 1.0 Al Al24 1 0.02205456 0.23825483 0.50037875 1.0 Al Al25 1 0.67870826 0.53488353 0.81873997 1.0 Al Al26 1 0.92506226 0.96024172 0.06477276 1.0 Al Al27 1 0.12993810 0.98187360 0.36137622 1.0 Al Al28 1 0.80381049 0.20740215 0.59018165 1.0 Al Al29 1 0.25298920 0.41256287 0.78377618 1.0 Al Al30 1 0.45075462 0.67695865 0.47911692 1.0 Al Al31 1 0.41719274 0.83516603 0.24549520 1.0 Al Al32 1 0.78889085 0.20552550 0.36738981 1.0 Al Al33 1 0.08951619 0.71525756 0.72863479 1.0 Al Al34 1 0.39174588 0.85579723 0.82585531 1.0 Al Al35 1 0.63319396 0.83001172 0.14153270 1.0 Al Al36 1 0.54194963 0.14924417 0.97598477 1.0 Al Al37 1 0.60594781 0.34586749 0.91450737 1.0 Al Al38 1 0.89367551 0.51005814 0.04312152 1.0 Al Al39 1 0.89798067 0.18016445 0.15322379 1.0 Al Al40 1 0.19549011 0.08757945 0.54245138 1.0 Al Al41 1 0.41807001 0.43880779 0.13901950 1.0 Al Al42 1 0.72170710 0.97058241 0.64804790 1.0 Al Al43 1 0.09338156 0.61027339 0.11436651 1.0 Al Al44 1 0.30367794 0.79365104 0.64387688 1.0 Al Al45 1 0.01812283 0.91247770 0.84559413 1.0 Al Al46 1 0.29594352 0.58656711 0.36484586 1.0 Al Al47 1 0.58424794 0.32555406 0.40711192 1.0 Al Al48 1 0.79822128 0.82600546 0.27778603 1.0 Al Al49 1 0.03603090 0.50102878 0.68484865 1.0 Al Al50 1 0.94321776 0.03253476 0.51332538 1.0 Al Al51 1 0.39390010 0.21196866 0.49280377 1.0 Al Al52 1 0.10220563 0.70346067 0.49480023 1.0 Al Al53 1 0.49127071 0.64682523 0.14070736 1.0 Al Al54 1 0.56230012 0.82517216 0.60145251 1.0 Al Al55 1 0.51947308 0.62765396 0.68189432 1.0 Al Al56 1 0.64402655 0.46529169 0.09003364 1.0 Al Al57 1 0.43655210 0.44484152 0.57227377 1.0 Al Al58 1 0.27893571 0.83384945 0.43456513 1.0 Al Al59 1 0.40663096 0.98983896 0.57033697 1.0 Al Al60 1 0.10314166 0.88414882 0.16229132 1.0 Al Al61 1 0.62792558 0.24154206 0.16320404 1.0 Al Al62 1 0.29738699 0.64356373 0.80252684 1.0 Al Al63 1 0.88863211 0.05926766 0.74647420 1.0 Al Al64 1 0.31005747 0.59135841 0.02134608 1.0 Al Al65 1 0.50546340 0.03311502 0.76055490 1.0 Al Al66 1 0.55762460 0.88291683 0.38693204 1.0 Al Al67 1 0.33585056 0.84854825 0.04677279 1.0 Al Al68 1 0.08785279 0.90223076 0.60918390 1.0 Al Al69 1 0.21849570 0.99448446 0.75530039 1.0 Al Al70 1 0.05915835 0.19875663 0.71541245 1.0 Al Al71 1 0.00287931 0.36925419 0.86847862 1.0 Al Al72 1 0.81350498 0.33376370 0.77589833 1.0 Al Al73 1 0.63061220 0.82544585 0.80340504 1.0 Al Al74 1 0.91322344 0.73504905 0.06772369 1.0 Al Al75 1 0.48843948 0.01255764 0.13752200 1.0 Al Al76 1 0.59179348 0.14580010 0.56836822 1.0 Al Al77 1 0.87575651 0.63887948 0.83236063 1.0 Al Al78 1 0.24475668 0.56670822 0.59476064 1.0 Al Al79 1 0.15859852 0.40997604 0.01171427 1.0 Al Al80 1 0.20583910 0.22026041 0.34569156 1.0 Al Al81 1 0.24245072 0.71997844 0.21609020 1.0 Al Al82 1 0.48448886 0.29089824 0.73171030 1.0 Al Al83 1 0.08108487 0.57414152 0.89526909 1.0 Al Al84 1 0.91239909 0.60236111 0.47643177 1.0 Al Al85 1 0.73239833 0.99972172 0.43003534 1.0 Al Al86 1 0.87722346 0.82419116 0.71576264 1.0 Al Al87 1 0.35464270 0.06209468 0.94644996 1.0 Al Al88 1 0.74288827 0.47264644 0.42838911 1.0 Al Al89 1 0.54443389 0.52230228 0.31880800 1.0 Al Al90 1 0.86707515 0.82258792 0.49404979 1.0 Al Al91 1 0.97391138 0.14277175 0.92867889 1.0 Al Al92 1 0.88186363 0.41532774 0.57668048 1.0 Al Al93 1 0.55943990 0.11571711 0.34055943 1.0 Al Al94 1 0.75946855 0.08740186 0.97370302 1.0 Al Al95 1 0.78694023 0.38244034 0.22306944 1.0 Al Al96 1 0.45199339 0.48729339 0.84299852 1.0 Al Al97 1 0.92642673 0.01157828 0.28923882 1.0 Al Al98 1 0.20451856 0.33546027 0.58267943 1.0 Al Al99 1 0.38484106 0.22511931 0.17242850 1.0