# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.67245500 _cell_length_b 5.26286300 _cell_length_c 5.50909404 _cell_angle_alpha 83.73531949 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 394.04656971 _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 0.99331800 0.98129900 0.70862300 1.0 Mg Mg1 1 0.49331800 0.01870100 0.29137700 1.0 Mg Mg2 1 0.35092900 0.46439400 0.45606300 1.0 Mg Mg3 1 0.61301600 0.82254400 0.77941300 1.0 Mg Mg4 1 0.85092900 0.53560600 0.54393700 1.0 Mg Mg5 1 0.19195000 0.70036100 0.00913100 1.0 Mg Mg6 1 0.39100500 0.84563400 0.82900000 1.0 Mg Mg7 1 0.69195000 0.29963900 0.99086900 1.0 Mg Mg8 1 0.89100500 0.15436600 0.17100000 1.0 Mg Mg9 1 0.11301600 0.17745600 0.22058700 1.0 Si Si10 1 0.00167700 0.69553400 0.22531700 1.0 Si Si11 1 0.01681200 0.46891900 0.85796500 1.0 Si Si12 1 0.50167700 0.30446600 0.77468300 1.0 Si Si13 1 0.51681200 0.53108100 0.14203500 1.0 Si Si14 1 0.14125500 0.60296300 0.52560600 1.0 Si Si15 1 0.78755800 0.04340900 0.62351300 1.0 Si Si16 1 0.64125500 0.39703700 0.47439400 1.0 Si Si17 1 0.19379800 0.15761900 0.69681700 1.0 Si Si18 1 0.28755800 0.95659100 0.37648700 1.0 Si Si19 1 0.82040900 0.71151000 0.99550600 1.0 Si Si20 1 0.69379800 0.84238100 0.30318300 1.0 Si Si21 1 0.32040900 0.28849000 0.00449400 1.0