# generated using pymatgen data_Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84460856 _cell_length_b 9.00926798 _cell_length_c 48.15252300 _cell_angle_alpha 89.99999788 _cell_angle_beta 90.00000000 _cell_angle_gamma 71.59435321 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al _chemical_formula_sum Al70 _cell_volume 1170.91748550 _cell_formula_units_Z 70 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 0.667331 0.332669 0.833993 1 Al Al1 1 0.555580 0.444420 0.778018 1 Al Al2 1 0.333764 0.166236 0.792021 1 Al Al3 1 0.444742 0.055258 0.848284 1 Al Al4 1 0.553939 0.946061 0.905184 1 Al Al5 1 0.220760 0.779240 0.862240 1 Al Al6 1 0.778710 0.221290 0.890109 1 Al Al7 1 0.888847 0.611153 0.820074 1 Al Al8 1 0.553939 0.946061 0.094816 1 Al Al9 1 0.672716 0.827284 0.039650 1 Al Al10 1 0.450761 0.549239 0.027587 1 Al Al11 1 0.450761 0.549239 0.972413 1 Al Al12 1 0.333308 0.666692 0.917243 1 Al Al13 1 0.333308 0.666692 0.082757 1 Al Al14 1 0.672716 0.827284 0.960350 1 Al Al15 1 0.114136 0.385864 0.932425 1 Al Al16 1 0.114136 0.385864 0.067575 1 Al Al17 1 0.880948 0.119052 0.052546 1 Al Al18 1 0.213688 0.286312 0.000000 1 Al Al19 1 0.880948 0.119052 0.947454 1 Al Al20 1 0.778710 0.221290 0.109891 1 Al Al21 1 0.001658 0.498342 0.876098 1 Al Al22 1 0.555258 0.944742 0.348284 1 Al Al23 1 0.666236 0.833764 0.292021 1 Al Al24 1 0.332669 0.667331 0.333993 1 Al Al25 1 0.444420 0.555580 0.278018 1 Al Al26 1 0.889009 0.110991 0.306056 1 Al Al27 1 0.111153 0.388847 0.320074 1 Al Al28 1 0.779240 0.220760 0.362240 1 Al Al29 1 0.222507 0.277493 0.264059 1 Al Al30 1 0.667331 0.332669 0.166007 1 Al Al31 1 0.444742 0.055258 0.151716 1 Al Al32 1 0.001658 0.498342 0.123902 1 Al Al33 1 0.110991 0.889009 0.193944 1 Al Al34 1 0.777493 0.722507 0.235941 1 Al Al35 1 0.555580 0.444420 0.221982 1 Al Al36 1 0.333764 0.166236 0.207979 1 Al Al37 1 0.000000 0.000000 0.250000 1 Al Al38 1 0.888847 0.611153 0.179926 1 Al Al39 1 0.220760 0.779240 0.137760 1 Al Al40 1 0.003136 0.996864 0.000000 1 Al Al41 1 0.998342 0.501658 0.376098 1 Al Al42 1 0.777493 0.722507 0.764059 1 Al Al43 1 0.110991 0.889009 0.806056 1 Al Al44 1 0.885864 0.614136 0.567575 1 Al Al45 1 0.221290 0.778710 0.609891 1 Al Al46 1 0.786312 0.713688 0.500000 1 Al Al47 1 0.446061 0.053939 0.594816 1 Al Al48 1 0.327284 0.172716 0.539650 1 Al Al49 1 0.327284 0.172716 0.460350 1 Al Al50 1 0.446061 0.053939 0.405184 1 Al Al51 1 0.549239 0.450761 0.472413 1 Al Al52 1 0.549239 0.450761 0.527587 1 Al Al53 1 0.666692 0.333308 0.417243 1 Al Al54 1 0.666692 0.333308 0.582757 1 Al Al55 1 0.119052 0.880948 0.552546 1 Al Al56 1 0.119052 0.880948 0.447454 1 Al Al57 1 0.885864 0.614136 0.432425 1 Al Al58 1 0.221290 0.778710 0.390109 1 Al Al59 1 0.666236 0.833764 0.707979 1 Al Al60 1 0.444420 0.555580 0.721982 1 Al Al61 1 0.000000 0.000000 0.750000 1 Al Al62 1 0.779240 0.220760 0.637760 1 Al Al63 1 0.111153 0.388847 0.679926 1 Al Al64 1 0.555258 0.944742 0.651716 1 Al Al65 1 0.332669 0.667331 0.666007 1 Al Al66 1 0.889009 0.110991 0.693944 1 Al Al67 1 0.998342 0.501658 0.623902 1 Al Al68 1 0.222507 0.277493 0.735941 1 Al Al69 1 0.996864 0.003136 0.500000 1