# generated using pymatgen data_Mg16Al12Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03215900 _cell_length_b 9.03215900 _cell_length_c 9.08160388 _cell_angle_alpha 71.56740379 _cell_angle_beta 71.56740379 _cell_angle_gamma 107.59396727 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12Br _chemical_formula_sum 'Mg16 Al12 Br1' _cell_volume 596.50591168 _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 0.99841700 0.99841700 0.34255800 1.0 Mg Mg1 1 0.33485600 0.33485600 0.67994800 1.0 Mg Mg2 1 0.31087400 0.31087400 0.29265800 1.0 Mg Mg3 1 0.00227100 0.00227100 0.99728300 1.0 Mg Mg4 1 0.39479600 0.66898800 0.00662800 1.0 Mg Mg5 1 0.29370800 0.59858000 0.39987700 1.0 Mg Mg6 1 0.69200600 0.00595200 0.59283600 1.0 Mg Mg7 1 0.65218000 0.00605300 0.98771400 1.0 Mg Mg8 1 0.32339800 0.71495800 0.67739600 1.0 Mg Mg9 1 0.99756400 0.40340500 0.31898900 1.0 Mg Mg10 1 0.40340500 0.99756400 0.31898900 1.0 Mg Mg11 1 0.71495800 0.32339800 0.67739600 1.0 Mg Mg12 1 0.00605300 0.65218000 0.98771400 1.0 Mg Mg13 1 0.00595200 0.69200600 0.59283600 1.0 Mg Mg14 1 0.59858000 0.29370800 0.39987700 1.0 Mg Mg15 1 0.66898800 0.39479600 0.00662800 1.0 Al Al16 1 0.63886800 0.63886800 0.15905500 1.0 Al Al17 1 0.84118700 0.84118700 0.81084300 1.0 Al Al18 1 0.15748800 0.34622900 0.02350900 1.0 Al Al19 1 0.64110300 0.83131700 0.34415200 1.0 Al Al20 1 0.00767200 0.19555700 0.63154600 1.0 Al Al21 1 0.80779500 0.18149100 0.18537900 1.0 Al Al22 1 0.99559100 0.37677900 0.81613700 1.0 Al Al23 1 0.37677900 0.99559100 0.81613700 1.0 Al Al24 1 0.18149100 0.80779500 0.18537900 1.0 Al Al25 1 0.19555700 0.00767200 0.63154600 1.0 Al Al26 1 0.83131700 0.64110300 0.34415200 1.0 Al Al27 1 0.34622900 0.15748800 0.02350900 1.0 Br Br28 1 0.58091900 0.58091900 0.74933000 1.0