# generated using pymatgen data_Mg16Al12Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17361658 _cell_length_b 9.17361658 _cell_length_c 9.17361658 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12Br _chemical_formula_sum 'Mg16 Al12 Br1' _cell_volume 594.29196985 _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 0.59100500 0.31066800 0.00000000 1.0 Mg Mg1 1 0.31672600 0.00000000 0.00000000 1.0 Mg Mg2 1 0.31066800 0.59100500 0.00000000 1.0 Mg Mg3 1 0.00000000 0.31672600 0.00000000 1.0 Mg Mg4 1 0.40899500 0.40899500 0.71966400 1.0 Mg Mg5 1 0.28033600 0.68933200 0.68933200 1.0 Mg Mg6 1 0.68933200 0.28033600 0.68933200 1.0 Mg Mg7 1 0.68327400 0.68327400 0.68327400 1.0 Mg Mg8 1 0.00000000 0.31066800 0.59100500 1.0 Mg Mg9 1 0.31066800 0.00000000 0.59100500 1.0 Mg Mg10 1 0.71966400 0.40899500 0.40899500 1.0 Mg Mg11 1 0.40899500 0.71966400 0.40899500 1.0 Mg Mg12 1 0.00000000 0.00000000 0.31672600 1.0 Mg Mg13 1 0.00000000 0.59100500 0.31066800 1.0 Mg Mg14 1 0.59100500 0.00000000 0.31066800 1.0 Mg Mg15 1 0.68933200 0.68933200 0.28033600 1.0 Al Al16 1 0.81163000 0.62175600 0.00000000 1.0 Al Al17 1 0.62175600 0.81163000 0.00000000 1.0 Al Al18 1 0.00000000 0.62175600 0.81163000 1.0 Al Al19 1 0.62175600 0.00000000 0.81163000 1.0 Al Al20 1 0.18837000 0.18837000 0.81012600 1.0 Al Al21 1 0.00000000 0.81163000 0.62175600 1.0 Al Al22 1 0.81163000 0.00000000 0.62175600 1.0 Al Al23 1 0.18987400 0.37824400 0.37824400 1.0 Al Al24 1 0.37824400 0.18987400 0.37824400 1.0 Al Al25 1 0.37824400 0.37824400 0.18987400 1.0 Al Al26 1 0.81012600 0.18837000 0.18837000 1.0 Al Al27 1 0.18837000 0.81012600 0.18837000 1.0 Br Br28 1 0.00000000 0.00000000 0.00000000 1.0