# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17529600 _cell_length_b 5.81089154 _cell_length_c 13.75177951 _cell_angle_alpha 100.82351499 _cell_angle_beta 92.14470642 _cell_angle_gamma 100.02166980 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 398.95151927 _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 0.29485400 0.92267900 0.16531100 1.0 Mg Mg1 1 0.40438300 0.57803300 0.50651000 1.0 Mg Mg2 1 0.75816600 0.96520000 0.63459700 1.0 Mg Mg3 1 0.07745400 0.20777900 0.35422700 1.0 Mg Mg4 1 0.81192000 0.01494200 0.05735400 1.0 Mg Mg5 1 0.87290800 0.89174900 0.83350900 1.0 Mg Mg6 1 0.88349000 0.42629000 0.57960000 1.0 Mg Mg7 1 0.92951400 0.72670500 0.41181400 1.0 Mg Mg8 1 0.46694300 0.42377400 0.09200400 1.0 Mg Mg9 1 0.97312400 0.50256300 0.97078600 1.0 Si Si10 1 0.48619500 0.62161400 0.91809000 1.0 Si Si11 1 0.30262500 0.98147300 0.96956100 1.0 Si Si12 1 0.53905900 0.03769300 0.42657800 1.0 Si Si13 1 0.28153600 0.12774300 0.56668300 1.0 Si Si14 1 0.40997300 0.15736300 0.82424000 1.0 Si Si15 1 0.98822700 0.46388200 0.18536600 1.0 Si Si16 1 0.60938500 0.29325800 0.29305400 1.0 Si Si17 1 0.23412600 0.83168300 0.68203000 1.0 Si Si18 1 0.47764200 0.50264900 0.71963300 1.0 Si Si19 1 0.39495800 0.63778500 0.30855200 1.0 Si Si20 1 0.78737900 0.81963100 0.22259400 1.0 Si Si21 1 0.01954100 0.36178200 0.77439700 1.0