# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03843300 _cell_length_b 6.82661000 _cell_length_c 15.21735223 _cell_angle_alpha 84.98672852 _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 417.91935136 _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 0.63986600 0.96878900 1.0 Mg Mg1 1 0.50000000 0.30354700 0.50728800 1.0 Mg Mg2 1 0.00000000 0.45591500 0.65006400 1.0 Mg Mg3 1 0.00000000 0.18118500 0.36138000 1.0 Mg Mg4 1 0.00000000 0.57521200 0.20005900 1.0 Mg Mg5 1 0.50000000 0.41813700 0.83666900 1.0 Mg Mg6 1 0.00000000 0.97536800 0.57443900 1.0 Mg Mg7 1 0.00000000 0.64933100 0.42000200 1.0 Mg Mg8 1 0.50000000 0.38464500 0.06094400 1.0 Mg Mg9 1 0.50000000 0.91921300 0.87636500 1.0 Mg Mg10 1 0.00000000 0.14339800 0.97354400 1.0 Mg Mg11 1 0.50000000 0.86423900 0.08465100 1.0 Si Si12 1 0.50000000 0.94031000 0.43750000 1.0 Si Si13 1 0.50000000 0.67402300 0.55044000 1.0 Si Si14 1 0.00000000 0.73016700 0.78616200 1.0 Si Si15 1 0.50000000 0.23971400 0.22476500 1.0 Si Si16 1 0.50000000 0.47652100 0.33105200 1.0 Si Si17 1 0.50000000 0.14821600 0.68767700 1.0 Si Si18 1 0.00000000 0.13771800 0.78768700 1.0 Si Si19 1 0.50000000 0.84570400 0.28410000 1.0 Si Si20 1 0.00000000 0.01391500 0.19752100 1.0 Si Si21 1 0.50000000 0.78000700 0.69529900 1.0