# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09143900 _cell_length_b 7.88489300 _cell_length_c 13.39038223 _cell_angle_alpha 84.43755971 _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 429.94707993 _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 0.00504800 0.99903400 1.0 Mg Mg1 1 0.50000000 0.44955600 0.47954800 1.0 Mg Mg2 1 0.00000000 0.26274000 0.31646700 1.0 Mg Mg3 1 0.00000000 0.73446500 0.68552000 1.0 Mg Mg4 1 0.00000000 0.65340800 0.91788000 1.0 Mg Mg5 1 0.00000000 0.35712500 0.08427900 1.0 Mg Mg6 1 0.00000000 0.81764800 0.43924700 1.0 Mg Mg7 1 0.00000000 0.16413900 0.57217000 1.0 Mg Mg8 1 0.00000000 0.30283200 0.81172600 1.0 Mg Mg9 1 0.00000000 0.70552500 0.18992200 1.0 Si Si10 1 0.50000000 0.38863900 0.94488700 1.0 Si Si11 1 0.50000000 0.61892300 0.05661000 1.0 Si Si12 1 0.50000000 0.89169700 0.57374600 1.0 Si Si13 1 0.50000000 0.10363400 0.43091800 1.0 Si Si14 1 0.00000000 0.04175300 0.16266900 1.0 Si Si15 1 0.00000000 0.96689700 0.83592000 1.0 Si Si16 1 0.50000000 0.32603700 0.66799200 1.0 Si Si17 1 0.50000000 0.68971800 0.33202900 1.0 Si Si18 1 0.50000000 0.46563000 0.22427900 1.0 Si Si19 1 0.50000000 0.54399600 0.77888800 1.0 Si Si20 1 0.50000000 0.03275200 0.73411500 1.0 Si Si21 1 0.50000000 0.98146600 0.26578300 1.0