# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32263800 _cell_length_b 7.39150800 _cell_length_c 12.64672230 _cell_angle_alpha 83.86243305 _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 401.75693975 _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 0.98586100 0.94736500 1.0 Mg Mg1 1 0.50000000 0.92675500 0.52440200 1.0 Mg Mg2 1 0.00000000 0.64992800 0.66199800 1.0 Mg Mg3 1 0.00000000 0.49224000 0.30471300 1.0 Mg Mg4 1 0.00000000 0.81419800 0.14302300 1.0 Mg Mg5 1 0.00000000 0.28358800 0.82609700 1.0 Mg Mg6 1 0.00000000 0.24156200 0.57332000 1.0 Mg Mg7 1 0.00000000 0.06598400 0.33368400 1.0 Mg Mg8 1 0.00000000 0.24982200 0.08338500 1.0 Mg Mg9 1 0.00000000 0.63193100 0.95031600 1.0 Si Si10 1 0.50000000 0.38368400 0.95206700 1.0 Si Si11 1 0.50000000 0.57559600 0.10580800 1.0 Si Si12 1 0.00000000 0.72734700 0.44659600 1.0 Si Si13 1 0.50000000 0.55059500 0.50254100 1.0 Si Si14 1 0.50000000 0.07359500 0.71728100 1.0 Si Si15 1 0.50000000 0.02603200 0.16670700 1.0 Si Si16 1 0.50000000 0.27040300 0.42229700 1.0 Si Si17 1 0.50000000 0.40794900 0.68488700 1.0 Si Si18 1 0.50000000 0.64366700 0.81056900 1.0 Si Si19 1 0.50000000 0.31046400 0.23130400 1.0 Si Si20 1 0.50000000 0.77997700 0.31569100 1.0 Si Si21 1 0.00000000 0.91609100 0.79244700 1.0