# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02644500 _cell_length_b 6.77011700 _cell_length_c 15.44493989 _cell_angle_alpha 87.09557208 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6Si5 _chemical_formula_sum 'Mg12 Si10' _cell_volume 420.48057120 _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 0.66327700 0.97010200 1.0 Mg Mg1 1 0.50000000 0.28409100 0.50579100 1.0 Mg Mg2 1 0.00000000 0.45035500 0.64864700 1.0 Mg Mg3 1 0.00000000 0.12991900 0.35753700 1.0 Mg Mg4 1 0.00000000 0.58454000 0.20997900 1.0 Mg Mg5 1 0.50000000 0.43177300 0.83956200 1.0 Mg Mg6 1 0.00000000 0.96008600 0.57584800 1.0 Mg Mg7 1 0.00000000 0.62164500 0.41866600 1.0 Mg Mg8 1 0.50000000 0.41419200 0.06997300 1.0 Mg Mg9 1 0.50000000 0.93135900 0.87994300 1.0 Mg Mg10 1 0.00000000 0.17421100 0.96924800 1.0 Mg Mg11 1 0.50000000 0.88785900 0.09355400 1.0 Si Si12 1 0.50000000 0.91692100 0.44323500 1.0 Si Si13 1 0.50000000 0.65579500 0.55152500 1.0 Si Si14 1 0.00000000 0.73879000 0.78769200 1.0 Si Si15 1 0.50000000 0.17946500 0.23297200 1.0 Si Si16 1 0.50000000 0.43286300 0.33314800 1.0 Si Si17 1 0.50000000 0.14868000 0.68724000 1.0 Si Si18 1 0.00000000 0.13772700 0.78736300 1.0 Si Si19 1 0.50000000 0.80983500 0.29343700 1.0 Si Si20 1 0.00000000 0.16775200 0.14572500 1.0 Si Si21 1 0.50000000 0.77521600 0.69521600 1.0