# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10751300 _cell_length_b 6.76179269 _cell_length_c 12.26149527 _cell_angle_alpha 83.64490135 _cell_angle_beta 87.45560683 _cell_angle_gamma 88.35382088 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 420.32426359 _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 0.92275000 0.11713100 0.98926500 1.0 Mg Mg1 1 0.50847500 0.29061400 0.59456600 1.0 Mg Mg2 1 0.00515100 0.09536900 0.41855700 1.0 Mg Mg3 1 0.06719400 0.64777100 0.52696300 1.0 Mg Mg4 1 0.53406300 0.91283500 0.83786500 1.0 Mg Mg5 1 0.63638100 0.22902700 0.21196200 1.0 Mg Mg6 1 0.46052700 0.81178400 0.33833200 1.0 Mg Mg7 1 0.00376300 0.00269600 0.67153900 1.0 Mg Mg8 1 0.38318900 0.40564900 0.97527500 1.0 Mg Mg9 1 0.40456300 0.79214700 0.08369800 1.0 Si Si10 1 0.84045700 0.53409600 0.04230100 1.0 Si Si11 1 0.05306800 0.76486500 0.90938400 1.0 Si Si12 1 0.58224000 0.91211600 0.53939600 1.0 Si Si13 1 0.83516400 0.49529500 0.35622100 1.0 Si Si14 1 0.13654800 0.05923000 0.19809300 1.0 Si Si15 1 0.20533300 0.25832900 0.79951300 1.0 Si Si16 1 0.64724100 0.64663100 0.69074200 1.0 Si Si17 1 0.36366100 0.40734400 0.38847800 1.0 Si Si18 1 0.14581900 0.43949300 0.19983800 1.0 Si Si19 1 0.16472100 0.60647900 0.74513000 1.0 Si Si20 1 0.71967800 0.31786800 0.79205200 1.0 Si Si21 1 0.88001100 0.75686100 0.19446100 1.0