# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11558500 _cell_length_b 5.40475081 _cell_length_c 14.66076948 _cell_angle_alpha 98.35431034 _cell_angle_beta 99.94328909 _cell_angle_gamma 91.01485528 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 394.64117218 _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 0.21939500 0.91791000 0.00982100 1.0 Mg Mg1 1 0.27403300 0.92205000 0.61632800 1.0 Mg Mg2 1 0.81460900 0.78837800 0.74255900 1.0 Mg Mg3 1 0.11197500 0.04363200 0.26264100 1.0 Mg Mg4 1 0.59501400 0.71073800 0.24443300 1.0 Mg Mg5 1 0.71543300 0.16075900 0.94160800 1.0 Mg Mg6 1 0.24131900 0.36186300 0.49322300 1.0 Mg Mg7 1 0.67451100 0.29627400 0.37438300 1.0 Mg Mg8 1 0.02113400 0.44413100 0.12603500 1.0 Mg Mg9 1 0.15106300 0.37949700 0.86164600 1.0 Si Si10 1 0.66248500 0.64700700 0.90353600 1.0 Si Si11 1 0.46629900 0.48539900 0.04782300 1.0 Si Si12 1 0.94510900 0.86457600 0.43062900 1.0 Si Si13 1 0.75561200 0.63716000 0.54885900 1.0 Si Si14 1 0.33886300 0.89068500 0.81123600 1.0 Si Si15 1 0.76494800 0.87357200 0.08737700 1.0 Si Si16 1 0.44585900 0.87287500 0.43758200 1.0 Si Si17 1 0.59811700 0.27431200 0.76116900 1.0 Si Si18 1 0.21312400 0.46393400 0.68051500 1.0 Si Si19 1 0.54062400 0.18823700 0.17854900 1.0 Si Si20 1 0.15014400 0.56218300 0.32188400 1.0 Si Si21 1 0.79670200 0.21120000 0.61453700 1.0