# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84693300 _cell_length_b 6.92720100 _cell_length_c 15.79189054 _cell_angle_alpha 81.99656102 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 416.73084625 _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 0.00000000 0.02160700 0.00648200 1.0 Mg Mg1 1 0.50000000 0.59355800 0.57068600 1.0 Mg Mg2 1 0.00000000 0.95894700 0.67794800 1.0 Mg Mg3 1 0.00000000 0.10359900 0.32862000 1.0 Mg Mg4 1 0.50000000 0.15583900 0.15458800 1.0 Mg Mg5 1 0.50000000 0.91814300 0.85699300 1.0 Mg Mg6 1 0.50000000 0.20352300 0.51620700 1.0 Mg Mg7 1 0.00000000 0.53013100 0.41684700 1.0 Mg Mg8 1 0.50000000 0.68012200 0.07870300 1.0 Mg Mg9 1 0.50000000 0.35218300 0.92938200 1.0 Si Si10 1 0.00000000 0.66728800 0.95130200 1.0 Si Si11 1 0.00000000 0.38168500 0.05696000 1.0 Si Si12 1 0.50000000 0.85412300 0.42220500 1.0 Si Si13 1 0.00000000 0.89957500 0.50959500 1.0 Si Si14 1 0.00000000 0.21008400 0.80570200 1.0 Si Si15 1 0.00000000 0.84435100 0.18863200 1.0 Si Si16 1 0.50000000 0.40185400 0.29659700 1.0 Si Si17 1 0.50000000 0.65685300 0.72873700 1.0 Si Si18 1 0.00000000 0.56901700 0.81313200 1.0 Si Si19 1 0.00000000 0.46656700 0.19985600 1.0 Si Si20 1 0.50000000 0.76199100 0.28283200 1.0 Si Si21 1 0.50000000 0.26533300 0.70436400 1.0