# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58860800 _cell_length_b 7.22299520 _cell_length_c 12.24452963 _cell_angle_alpha 96.12316306 _cell_angle_beta 90.76538715 _cell_angle_gamma 106.52275675 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 554.87790827 _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 0.59603800 0.94761500 0.90645200 1.0 Mg Mg1 1 0.64276800 0.48607300 0.89055400 1.0 Mg Mg2 1 0.09864900 0.85120600 0.46057700 1.0 Mg Mg3 1 0.17577300 0.57325100 0.26668500 1.0 Mg Mg4 1 0.07574100 0.84190100 0.89875700 1.0 Mg Mg5 1 0.02604200 0.28244700 0.87904800 1.0 Mg Mg6 1 0.56837800 0.85856600 0.40016000 1.0 Mg Mg7 1 0.36978100 0.24268300 0.36835400 1.0 Mg Mg8 1 0.37306800 0.86337000 0.66358400 1.0 Mg Mg9 1 0.32395800 0.28964900 0.67118600 1.0 Mg Mg10 1 0.91875200 0.85337500 0.21179300 1.0 Mg Mg11 1 0.82316300 0.21973800 0.30459800 1.0 Mg Mg12 1 0.96461600 0.51915400 0.67308500 1.0 Mg Mg13 1 0.87775900 0.92428300 0.67402100 1.0 Mg Mg14 1 0.56570100 0.46531600 0.15582000 1.0 Mg Mg15 1 0.43508000 0.95781000 0.15503100 1.0 Si Si16 1 0.65883100 0.20907000 0.54238600 1.0 Si Si17 1 0.26421900 0.54760400 0.49965900 1.0 Si Si18 1 0.33842200 0.19534500 0.99051500 1.0 Si Si19 1 0.95261000 0.56437500 0.05518200 1.0 Si Si20 1 0.32668800 0.60675900 0.81218200 1.0 Si Si21 1 0.66686500 0.18886600 0.74113600 1.0 Si Si22 1 0.77153100 0.57373100 0.35257500 1.0 Si Si23 1 0.16375800 0.20234800 0.16362400 1.0 Si Si24 1 0.64279200 0.57423600 0.53608200 1.0 Si Si25 1 0.01722600 0.19981800 0.50098100 1.0 Si Si26 1 0.31992400 0.60975400 0.01361800 1.0 Si Si27 1 0.82282000 0.20849600 0.07648000 1.0