# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95204000 _cell_length_b 6.84460741 _cell_length_c 15.69730924 _cell_angle_alpha 101.05301665 _cell_angle_beta 97.11583289 _cell_angle_gamma 89.54018785 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 413.47451855 _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 0.97412100 0.05520200 0.01344600 1.0 Mg Mg1 1 0.70213400 0.87753300 0.47625200 1.0 Mg Mg2 1 0.79035500 0.98620700 0.68120000 1.0 Mg Mg3 1 0.13209300 0.01254900 0.33713900 1.0 Mg Mg4 1 0.54536300 0.93324000 0.15691800 1.0 Mg Mg5 1 0.39673300 0.14197900 0.86305300 1.0 Mg Mg6 1 0.23899100 0.20346200 0.55508600 1.0 Mg Mg7 1 0.16831900 0.53513900 0.40956100 1.0 Mg Mg8 1 0.50627900 0.39997600 0.08024900 1.0 Mg Mg9 1 0.43532000 0.71600400 0.93377500 1.0 Si Si10 1 0.93947000 0.40477900 0.95014600 1.0 Si Si11 1 0.99888000 0.69756900 0.06205200 1.0 Si Si12 1 0.67822600 0.24280800 0.43301800 1.0 Si Si13 1 0.74309600 0.54421200 0.54604400 1.0 Si Si14 1 0.88769200 0.86418100 0.83895900 1.0 Si Si15 1 0.06259800 0.24941100 0.19278900 1.0 Si Si16 1 0.61290400 0.69336000 0.29821900 1.0 Si Si17 1 0.34127400 0.36660900 0.72915300 1.0 Si Si18 1 0.87709700 0.50781600 0.80783700 1.0 Si Si19 1 0.06879600 0.61820600 0.20389600 1.0 Si Si20 1 0.60847200 0.32155300 0.28831100 1.0 Si Si21 1 0.28815800 0.62820500 0.63926800 1.0