# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17999400 _cell_length_b 7.11260300 _cell_length_c 14.02295619 _cell_angle_alpha 83.13444533 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6Si5 _chemical_formula_sum 'Mg12 Si10' _cell_volume 413.92192179 _cell_formula_units_Z 2 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 0.50000000 0.38911400 0.06429000 1.0 Mg Mg1 1 0.50000000 0.78744300 0.43626700 1.0 Mg Mg2 1 0.00000000 0.26743400 0.73871300 1.0 Mg Mg3 1 0.50000000 0.96774100 0.21461500 1.0 Mg Mg4 1 0.50000000 0.46176400 0.28969700 1.0 Mg Mg5 1 0.50000000 0.56005300 0.82427500 1.0 Mg Mg6 1 0.00000000 0.00155900 0.56763700 1.0 Mg Mg7 1 0.00000000 0.46098600 0.48782100 1.0 Mg Mg8 1 0.00000000 0.64860100 0.13176700 1.0 Mg Mg9 1 0.50000000 0.14153500 0.89519400 1.0 Mg Mg10 1 0.00000000 0.81716500 0.88345100 1.0 Mg Mg11 1 0.00000000 0.05753600 0.05202900 1.0 Si Si12 1 0.50000000 0.17258000 0.43924500 1.0 Si Si13 1 0.50000000 0.24357900 0.60383700 1.0 Si Si14 1 0.00000000 0.38300900 0.92471800 1.0 Si Si15 1 0.00000000 0.26895600 0.19838200 1.0 Si Si16 1 0.00000000 0.73731900 0.32023300 1.0 Si Si17 1 0.50000000 0.57908700 0.61615000 1.0 Si Si18 1 0.00000000 0.70012000 0.69559300 1.0 Si Si19 1 0.00000000 0.07659300 0.35408200 1.0 Si Si20 1 0.50000000 0.81317700 0.02659200 1.0 Si Si21 1 0.50000000 0.96830800 0.73188200 1.0