# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25344900 _cell_length_b 7.71301876 _cell_length_c 12.05633421 _cell_angle_alpha 95.54107009 _cell_angle_beta 91.58051452 _cell_angle_gamma 109.81666030 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 543.38972354 _cell_formula_units_Z 4 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 0.75248200 0.89682300 0.89678400 1.0 Mg Mg1 1 0.65671000 0.43059600 0.90958300 1.0 Mg Mg2 1 0.21027100 0.97796600 0.43278300 1.0 Mg Mg3 1 0.99034000 0.41778200 0.13604900 1.0 Mg Mg4 1 0.28555400 0.95818100 0.85047700 1.0 Mg Mg5 1 0.08889300 0.29019000 0.89235900 1.0 Mg Mg6 1 0.59814500 0.81364600 0.39491100 1.0 Mg Mg7 1 0.53525900 0.44588400 0.46394500 1.0 Mg Mg8 1 0.39130300 0.82644800 0.63072700 1.0 Mg Mg9 1 0.36201600 0.27602700 0.67182600 1.0 Mg Mg10 1 0.78530100 0.86727100 0.15757900 1.0 Mg Mg11 1 0.69198100 0.19284100 0.29905200 1.0 Mg Mg12 1 0.96189300 0.47517900 0.67036400 1.0 Mg Mg13 1 0.93150300 0.95360100 0.64598800 1.0 Mg Mg14 1 0.49554000 0.43651200 0.16792500 1.0 Mg Mg15 1 0.28217900 0.85316100 0.20071700 1.0 Si Si16 1 0.66107600 0.14133900 0.53944100 1.0 Si Si17 1 0.15203600 0.59103000 0.45775500 1.0 Si Si18 1 0.16977800 0.07697700 0.05420700 1.0 Si Si19 1 0.03210400 0.71710100 0.00073700 1.0 Si Si20 1 0.34307100 0.60542100 0.80509100 1.0 Si Si21 1 0.68909700 0.15070900 0.76018000 1.0 Si Si22 1 0.87773600 0.61864200 0.31847900 1.0 Si Si23 1 0.15551300 0.18386400 0.26716900 1.0 Si Si24 1 0.65444400 0.63257200 0.69025200 1.0 Si Si25 1 0.05611600 0.26479900 0.48608800 1.0 Si Si26 1 0.38303100 0.63405100 0.00992400 1.0 Si Si27 1 0.58757900 0.12822700 0.05373300 1.0