# generated using pymatgen data_Mg16Al12S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05418195 _cell_length_b 9.05418195 _cell_length_c 9.05418246 _cell_angle_alpha 108.90472450 _cell_angle_beta 108.90472450 _cell_angle_gamma 108.90472511 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12S _chemical_formula_sum 'Mg16 Al12 S1' _cell_volume 583.05715786 _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 0.99913100 0.99913100 0.65519700 1.0 Mg Mg1 1 0.30876100 0.30876100 0.71070400 1.0 Mg Mg2 1 0.57728600 0.57728600 0.29583200 1.0 Mg Mg3 1 0.03996600 0.03996600 0.03996600 1.0 Mg Mg4 1 0.67523600 0.40419600 0.99877400 1.0 Mg Mg5 1 0.57728600 0.29583200 0.57728600 1.0 Mg Mg6 1 0.99877400 0.67523600 0.40419600 1.0 Mg Mg7 1 0.99913100 0.65519700 0.99913100 1.0 Mg Mg8 1 0.71070400 0.30876100 0.30876100 1.0 Mg Mg9 1 0.40419600 0.99877400 0.67523600 1.0 Mg Mg10 1 0.99877400 0.40419600 0.67523600 1.0 Mg Mg11 1 0.30876100 0.71070400 0.30876100 1.0 Mg Mg12 1 0.65519700 0.99913100 0.99913100 1.0 Mg Mg13 1 0.67523600 0.99877400 0.40419600 1.0 Mg Mg14 1 0.29583200 0.57728600 0.57728600 1.0 Mg Mg15 1 0.40419600 0.67523600 0.99877400 1.0 Al Al16 1 0.80742800 0.80742800 0.19428600 1.0 Al Al17 1 0.64974700 0.64974700 0.83947600 1.0 Al Al18 1 0.36261400 0.17380700 0.98592900 1.0 Al Al19 1 0.17380700 0.98592900 0.36261400 1.0 Al Al20 1 0.83947600 0.64974700 0.64974700 1.0 Al Al21 1 0.36261400 0.98592900 0.17380700 1.0 Al Al22 1 0.19428600 0.80742800 0.80742800 1.0 Al Al23 1 0.80742800 0.19428600 0.80742800 1.0 Al Al24 1 0.98592900 0.36261400 0.17380700 1.0 Al Al25 1 0.64974700 0.83947600 0.64974700 1.0 Al Al26 1 0.98592900 0.17380700 0.36261400 1.0 Al Al27 1 0.17380700 0.36261400 0.98592900 1.0 S S28 1 0.37870600 0.37870600 0.37870600 1.0