# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09487111 _cell_length_b 4.15123242 _cell_length_c 12.95388683 _cell_angle_alpha 101.05556719 _cell_angle_beta 107.46913722 _cell_angle_gamma 89.52085878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 406.95288259 _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 0.05282200 0.25860600 0.98900200 1.0 Mg Mg1 1 0.56486700 0.96294800 0.40891300 1.0 Mg Mg2 1 0.68165700 0.55020900 0.58723100 1.0 Mg Mg3 1 0.29186900 0.46983500 0.40836400 1.0 Mg Mg4 1 0.26692400 0.85533700 0.17498200 1.0 Mg Mg5 1 0.58282900 0.65605700 0.79159800 1.0 Mg Mg6 1 0.11865800 0.60283100 0.67777000 1.0 Mg Mg7 1 0.88505400 0.46074400 0.40723700 1.0 Mg Mg8 1 0.79899500 0.78858700 0.04252000 1.0 Mg Mg9 1 0.31554100 0.72599100 0.92686400 1.0 Si Si10 1 0.58321000 0.23387400 0.94689500 1.0 Si Si11 1 0.40452000 0.30490900 0.06957300 1.0 Si Si12 1 0.15263300 0.03877500 0.51096000 1.0 Si Si13 1 0.88770900 0.03409400 0.56252000 1.0 Si Si14 1 0.83363500 0.12306300 0.74524200 1.0 Si Si15 1 0.99939300 0.35165500 0.19557900 1.0 Si Si16 1 0.72516900 0.86851600 0.23766800 1.0 Si Si17 1 0.47475700 0.07017800 0.62087700 1.0 Si Si18 1 0.34604300 0.14686500 0.77354300 1.0 Si Si19 1 0.53822100 0.38540400 0.26678500 1.0 Si Si20 1 0.04366100 0.92144100 0.30994400 1.0 Si Si21 1 0.94807200 0.68314000 0.84240500 1.0