# generated using pymatgen data_Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99005140 _cell_length_b 3.99214800 _cell_length_c 35.03629308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000581 _cell_angle_gamma 66.42117708 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al _chemical_formula_sum Al38 _cell_volume 639.68668951 _cell_formula_units_Z 38 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 0.400799 0.299600 0.724225 1 Al Al1 1 0.203245 0.898378 0.672434 1 Al Al2 1 0.592541 0.203729 0.905415 1 Al Al3 1 0.603568 0.198215 0.647374 1 Al Al4 1 0.803331 0.598334 0.698498 1 Al Al5 1 0.000000 0.000000 0.750000 1 Al Al6 1 0.196669 0.401666 0.801502 1 Al Al7 1 0.396432 0.801785 0.852626 1 Al Al8 1 0.407459 0.796271 0.594585 1 Al Al9 1 0.796755 0.101622 0.827566 1 Al Al10 1 0.995828 0.502086 0.879178 1 Al Al11 1 0.004172 0.497914 0.620822 1 Al Al12 1 0.599201 0.700400 0.775775 1 Al Al13 1 0.196669 0.401666 0.198498 1 Al Al14 1 0.599201 0.700400 0.224225 1 Al Al15 1 0.000000 0.000000 0.250000 1 Al Al16 1 0.796755 0.101622 0.172434 1 Al Al17 1 0.407459 0.796271 0.405415 1 Al Al18 1 0.396432 0.801785 0.147374 1 Al Al19 1 0.603568 0.198215 0.352626 1 Al Al20 1 0.592541 0.203729 0.094585 1 Al Al21 1 0.004172 0.497914 0.379178 1 Al Al22 1 0.995828 0.502086 0.120822 1 Al Al23 1 0.203245 0.898378 0.327566 1 Al Al24 1 0.400799 0.299600 0.275775 1 Al Al25 1 0.803331 0.598334 0.301502 1 Al Al26 1 0.413929 0.293036 0.000000 1 Al Al27 1 0.008194 0.995904 0.000000 1 Al Al28 1 0.775717 0.612141 0.043291 1 Al Al29 1 0.202983 0.898509 0.070663 1 Al Al30 1 0.202983 0.898509 0.929337 1 Al Al31 1 0.775717 0.612141 0.956709 1 Al Al32 1 0.586071 0.706964 0.500000 1 Al Al33 1 0.991806 0.004096 0.500000 1 Al Al34 1 0.797017 0.101491 0.429337 1 Al Al35 1 0.224283 0.387859 0.456709 1 Al Al36 1 0.224283 0.387859 0.543291 1 Al Al37 1 0.797017 0.101491 0.570663 1