# generated using pymatgen data_Mg41Al67 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.64750100 _cell_length_b 12.64750100 _cell_length_c 12.64750100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg41Al67 _chemical_formula_sum 'Mg41 Al67' _cell_volume 2023.08517330 _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 Mg Mg0 1 0.66099900 0.33900100 0.16666300 1.0 Mg Mg1 1 0.66099900 0.83333700 0.33900100 1.0 Mg Mg2 1 0.16666300 0.66099900 0.66099900 1.0 Mg Mg3 1 0.33900100 0.83333700 0.66099900 1.0 Mg Mg4 1 0.00000000 0.82349300 0.00000000 1.0 Mg Mg5 1 0.83333700 0.66099900 0.66099900 1.0 Mg Mg6 1 0.16666300 0.33900100 0.33900100 1.0 Mg Mg7 1 0.66099900 0.16666300 0.33900100 1.0 Mg Mg8 1 0.83120500 0.16879500 0.16879500 1.0 Mg Mg9 1 0.83333700 0.66099900 0.33900100 1.0 Mg Mg10 1 0.00000000 0.00000000 0.17650700 1.0 Mg Mg11 1 0.66099900 0.66099900 0.16666300 1.0 Mg Mg12 1 0.33900100 0.66099900 0.83333700 1.0 Mg Mg13 1 0.16879500 0.16879500 0.83120500 1.0 Mg Mg14 1 0.66099900 0.33900100 0.83333700 1.0 Mg Mg15 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg16 1 0.66099900 0.16666300 0.66099900 1.0 Mg Mg17 1 0.16666300 0.66099900 0.33900100 1.0 Mg Mg18 1 0.83120500 0.16879500 0.83120500 1.0 Mg Mg19 1 0.16666300 0.33900100 0.66099900 1.0 Mg Mg20 1 0.16879500 0.16879500 0.16879500 1.0 Mg Mg21 1 0.66099900 0.66099900 0.83333700 1.0 Mg Mg22 1 0.66099900 0.83333700 0.66099900 1.0 Mg Mg23 1 0.83120500 0.83120500 0.16879500 1.0 Mg Mg24 1 0.17650700 0.00000000 0.00000000 1.0 Mg Mg25 1 0.33900100 0.16666300 0.66099900 1.0 Mg Mg26 1 0.83333700 0.33900100 0.66099900 1.0 Mg Mg27 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg28 1 0.16879500 0.83120500 0.16879500 1.0 Mg Mg29 1 0.33900100 0.66099900 0.16666300 1.0 Mg Mg30 1 0.00000000 0.17650700 0.00000000 1.0 Mg Mg31 1 0.16879500 0.83120500 0.83120500 1.0 Mg Mg32 1 0.82349300 0.00000000 0.00000000 1.0 Mg Mg33 1 0.33900100 0.33900100 0.83333700 1.0 Mg Mg34 1 0.33900100 0.33900100 0.16666300 1.0 Mg Mg35 1 0.33900100 0.16666300 0.33900100 1.0 Mg Mg36 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg37 1 0.83333700 0.33900100 0.33900100 1.0 Mg Mg38 1 0.33900100 0.83333700 0.33900100 1.0 Mg Mg39 1 0.00000000 0.00000000 0.82349300 1.0 Mg Mg40 1 0.83120500 0.83120500 0.83120500 1.0 Al Al41 1 0.50000000 0.33876200 0.33876200 1.0 Al Al42 1 0.83346300 0.16653700 0.50000000 1.0 Al Al43 1 0.33876200 0.50000000 0.66123800 1.0 Al Al44 1 0.66842300 0.00000000 0.50000000 1.0 Al Al45 1 0.66254100 0.00000000 0.82900100 1.0 Al Al46 1 0.82900100 0.00000000 0.66254100 1.0 Al Al47 1 0.50000000 0.00000000 0.33157700 1.0 Al Al48 1 0.33745900 0.82900100 0.00000000 1.0 Al Al49 1 0.00000000 0.66842300 0.50000000 1.0 Al Al50 1 0.33157700 0.00000000 0.50000000 1.0 Al Al51 1 0.66254100 0.00000000 0.17099900 1.0 Al Al52 1 0.50000000 0.83346300 0.16653700 1.0 Al Al53 1 0.66842300 0.50000000 0.00000000 1.0 Al Al54 1 0.17099900 0.66254100 0.00000000 1.0 Al Al55 1 0.83346300 0.50000000 0.16653700 1.0 Al Al56 1 0.17301800 0.50000000 0.50000000 1.0 Al Al57 1 0.17099900 0.33745900 0.00000000 1.0 Al Al58 1 0.50000000 0.50000000 0.17301800 1.0 Al Al59 1 0.50000000 0.83346300 0.83346300 1.0 Al Al60 1 0.50000000 0.00000000 0.66842300 1.0 Al Al61 1 0.33876200 0.33876200 0.50000000 1.0 Al Al62 1 0.50000000 0.16653700 0.16653700 1.0 Al Al63 1 0.50000000 0.66123800 0.33876200 1.0 Al Al64 1 0.33745900 0.00000000 0.17099900 1.0 Al Al65 1 0.17099900 0.00000000 0.66254100 1.0 Al Al66 1 0.82900100 0.00000000 0.33745900 1.0 Al Al67 1 0.16653700 0.50000000 0.16653700 1.0 Al Al68 1 0.00000000 0.17099900 0.66254100 1.0 Al Al69 1 0.33745900 0.00000000 0.82900100 1.0 Al Al70 1 0.00000000 0.82900100 0.33745900 1.0 Al Al71 1 0.16653700 0.16653700 0.50000000 1.0 Al Al72 1 0.50000000 0.50000000 0.50000000 1.0 Al Al73 1 0.50000000 0.33157700 0.00000000 1.0 Al Al74 1 0.50000000 0.66123800 0.66123800 1.0 Al Al75 1 0.66123800 0.33876200 0.50000000 1.0 Al Al76 1 0.17099900 0.00000000 0.33745900 1.0 Al Al77 1 0.66123800 0.50000000 0.66123800 1.0 Al Al78 1 0.50000000 0.66842300 0.00000000 1.0 Al Al79 1 0.00000000 0.33745900 0.82900100 1.0 Al Al80 1 0.00000000 0.66254100 0.82900100 1.0 Al Al81 1 0.50000000 0.17301800 0.50000000 1.0 Al Al82 1 0.50000000 0.82698200 0.50000000 1.0 Al Al83 1 0.83346300 0.83346300 0.50000000 1.0 Al Al84 1 0.00000000 0.17099900 0.33745900 1.0 Al Al85 1 0.16653700 0.83346300 0.50000000 1.0 Al Al86 1 0.00000000 0.33745900 0.17099900 1.0 Al Al87 1 0.00000000 0.66254100 0.17099900 1.0 Al Al88 1 0.00000000 0.82900100 0.66254100 1.0 Al Al89 1 0.33876200 0.66123800 0.50000000 1.0 Al Al90 1 0.66254100 0.17099900 0.00000000 1.0 Al Al91 1 0.82900100 0.66254100 0.00000000 1.0 Al Al92 1 0.33157700 0.50000000 0.00000000 1.0 Al Al93 1 0.33745900 0.17099900 0.00000000 1.0 Al Al94 1 0.66254100 0.82900100 0.00000000 1.0 Al Al95 1 0.83346300 0.50000000 0.83346300 1.0 Al Al96 1 0.82698200 0.50000000 0.50000000 1.0 Al Al97 1 0.00000000 0.50000000 0.33157700 1.0 Al Al98 1 0.50000000 0.16653700 0.83346300 1.0 Al Al99 1 0.50000000 0.33876200 0.66123800 1.0 Al Al100 1 0.33876200 0.50000000 0.33876200 1.0 Al Al101 1 0.00000000 0.33157700 0.50000000 1.0 Al Al102 1 0.82900100 0.33745900 0.00000000 1.0 Al Al103 1 0.16653700 0.50000000 0.83346300 1.0 Al Al104 1 0.66123800 0.50000000 0.33876200 1.0 Al Al105 1 0.66123800 0.66123800 0.50000000 1.0 Al Al106 1 0.50000000 0.50000000 0.82698200 1.0 Al Al107 1 0.00000000 0.50000000 0.66842300 1.0