# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85189000 _cell_length_b 5.90376313 _cell_length_c 12.20423593 _cell_angle_alpha 89.20254651 _cell_angle_beta 88.23733336 _cell_angle_gamma 89.15559917 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 421.35052679 _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 0.85933200 0.18138600 0.03957100 1.0 Mg Mg1 1 0.32763200 0.21962700 0.46606200 1.0 Mg Mg2 1 0.04644200 0.44633200 0.65502800 1.0 Mg Mg3 1 0.06711800 0.66465700 0.39401400 1.0 Mg Mg4 1 0.09254000 0.62344100 0.11159900 1.0 Mg Mg5 1 0.77736600 0.66938000 0.86791300 1.0 Mg Mg6 1 0.81545600 0.93045100 0.62146000 1.0 Mg Mg7 1 0.57299400 0.79395500 0.38455300 1.0 Mg Mg8 1 0.59844800 0.71696200 0.11054300 1.0 Mg Mg9 1 0.25910600 0.41617000 0.89424000 1.0 Si Si10 1 0.33522500 0.84638100 0.93176200 1.0 Si Si11 1 0.38155800 0.15344600 0.06018600 1.0 Si Si12 1 0.81279700 0.27142500 0.46352300 1.0 Si Si13 1 0.60250300 0.52409100 0.58892500 1.0 Si Si14 1 0.92115300 0.12859600 0.82094500 1.0 Si Si15 1 0.89011500 0.97169000 0.24459500 1.0 Si Si16 1 0.38332100 0.44183600 0.26280300 1.0 Si Si17 1 0.57881400 0.28907000 0.74477500 1.0 Si Si18 1 0.29040400 0.00280000 0.74547100 1.0 Si Si19 1 0.29696700 0.04045300 0.24620600 1.0 Si Si20 1 0.79626700 0.36800500 0.26638800 1.0 Si Si21 1 0.29444200 0.79984700 0.57580800 1.0