# generated using pymatgen data_Mg16MnAl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31877382 _cell_length_b 8.99083879 _cell_length_c 8.99083782 _cell_angle_alpha 108.72059379 _cell_angle_beta 110.21180044 _cell_angle_gamma 110.21179676 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16MnAl12 _chemical_formula_sum 'Mg16 Mn1 Al12' _cell_volume 574.49474914 _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 0.99408800 0.00000000 0.99999900 1.0 Mg Mg1 1 0.00405800 0.35097800 0.00000000 1.0 Mg Mg2 1 0.31862200 0.60109400 0.00000000 1.0 Mg Mg3 1 0.58806300 0.29278000 0.00000000 1.0 Mg Mg4 1 0.68338100 0.68102300 0.28059700 1.0 Mg Mg5 1 0.58806200 0.00000000 0.29278000 1.0 Mg Mg6 1 0.00235800 0.59957400 0.31897700 1.0 Mg Mg7 1 0.00405800 0.00000000 0.35097800 1.0 Mg Mg8 1 0.40278400 0.71940300 0.40042700 1.0 Mg Mg9 1 0.71752900 0.39890700 0.39890700 1.0 Mg Mg10 1 0.31862200 0.99999900 0.60109400 1.0 Mg Mg11 1 0.00235800 0.31897700 0.59957400 1.0 Mg Mg12 1 0.65307900 0.64902200 0.64902200 1.0 Mg Mg13 1 0.68338100 0.28059700 0.68102300 1.0 Mg Mg14 1 0.29528200 0.70722000 0.70722000 1.0 Mg Mg15 1 0.40278400 0.40042700 0.71940300 1.0 Mn Mn16 1 0.29398600 0.99999900 0.99999900 1.0 Al Al17 1 0.64151500 0.81047500 0.00000000 1.0 Al Al18 1 0.81480200 0.62525000 0.00000000 1.0 Al Al19 1 0.36713200 0.36285400 0.18140300 1.0 Al Al20 1 0.18573000 0.81859600 0.18145000 1.0 Al Al21 1 0.83103900 0.18952500 0.18952500 1.0 Al Al22 1 0.36713200 0.18140400 0.36285400 1.0 Al Al23 1 0.18955100 0.37475100 0.37475100 1.0 Al Al24 1 0.81480100 0.00000000 0.62525100 1.0 Al Al25 1 0.00427900 0.81855100 0.63714600 1.0 Al Al26 1 0.64151600 0.00000000 0.81047500 1.0 Al Al27 1 0.00427800 0.63714700 0.81855000 1.0 Al Al28 1 0.18573000 0.18145000 0.81859600 1.0