# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75304500 _cell_length_b 7.20491000 _cell_length_c 14.99909456 _cell_angle_alpha 89.98431911 _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 405.58077321 _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 0.50000000 0.88387100 0.06581700 1.0 Mg Mg1 1 0.50000000 0.47855200 0.51527100 1.0 Mg Mg2 1 0.50000000 0.86838300 0.31718000 1.0 Mg Mg3 1 0.00000000 0.17620300 0.61050400 1.0 Mg Mg4 1 0.00000000 0.27902600 0.79730300 1.0 Mg Mg5 1 0.00000000 0.62089200 0.17754400 1.0 Mg Mg6 1 0.00000000 0.21450500 0.35401600 1.0 Mg Mg7 1 0.50000000 0.83647900 0.63078000 1.0 Mg Mg8 1 0.00000000 0.68114900 0.93199600 1.0 Mg Mg9 1 0.00000000 0.21040100 0.01607900 1.0 Si Si10 1 0.50000000 0.49515000 0.05821200 1.0 Si Si11 1 0.50000000 0.38704000 0.90819900 1.0 Si Si12 1 0.50000000 0.08890100 0.47886600 1.0 Si Si13 1 0.00000000 0.86899800 0.48607600 1.0 Si Si14 1 0.00000000 0.01998200 0.19019900 1.0 Si Si15 1 0.50000000 0.01844300 0.88594800 1.0 Si Si16 1 0.00000000 0.53426600 0.66596600 1.0 Si Si17 1 0.00000000 0.59737600 0.38795000 1.0 Si Si18 1 0.50000000 0.48238700 0.29514400 1.0 Si Si19 1 0.50000000 0.60748100 0.77368400 1.0 Si Si20 1 0.00000000 0.90614500 0.78311000 1.0 Si Si21 1 0.50000000 0.24074500 0.17378200 1.0