# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55170800 _cell_length_b 5.70514839 _cell_length_c 13.22693372 _cell_angle_alpha 98.82274964 _cell_angle_beta 99.38136775 _cell_angle_gamma 92.00860385 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 407.67132284 _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 0.18662100 0.84139800 0.06289500 1.0 Mg Mg1 1 0.16508500 0.55064300 0.36207300 1.0 Mg Mg2 1 0.02113300 0.88499400 0.57272200 1.0 Mg Mg3 1 0.46857800 0.14748200 0.46851500 1.0 Mg Mg4 1 0.74404200 0.60511600 0.16231000 1.0 Mg Mg5 1 0.30347800 0.71430200 0.81231700 1.0 Mg Mg6 1 0.80441100 0.48053000 0.68401300 1.0 Mg Mg7 1 0.94561900 0.00537300 0.32335300 1.0 Mg Mg8 1 0.43408200 0.24995000 0.96953500 1.0 Mg Mg9 1 0.90926100 0.39278600 0.91141500 1.0 Si Si10 1 0.63242300 0.78258100 0.98727800 1.0 Si Si11 1 0.79541500 0.10971000 0.12884100 1.0 Si Si12 1 0.94982300 0.31722000 0.49026500 1.0 Si Si13 1 0.51811700 0.75564400 0.56754800 1.0 Si Si14 1 0.17772600 0.18126200 0.76894400 1.0 Si Si15 1 0.15128300 0.35671500 0.12174100 1.0 Si Si16 1 0.67311900 0.61772800 0.38313000 1.0 Si Si17 1 0.28557200 0.42733700 0.62861700 1.0 Si Si18 1 0.58360500 0.07427600 0.72593500 1.0 Si Si19 1 0.50507400 0.26382200 0.24422500 1.0 Si Si20 1 0.39711900 0.86990900 0.27015400 1.0 Si Si21 1 0.85204400 0.87122300 0.85054500 1.0