# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24687800 _cell_length_b 6.76519275 _cell_length_c 13.20965475 _cell_angle_alpha 92.51114090 _cell_angle_beta 91.45531213 _cell_angle_gamma 104.67350300 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 539.14663472 _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 0.79096700 0.98217600 0.00490800 1.0 Mg Mg1 1 0.71538600 0.55158300 0.87833700 1.0 Mg Mg2 1 0.97802900 0.72849000 0.43472100 1.0 Mg Mg3 1 0.18439400 0.57256200 0.25238100 1.0 Mg Mg4 1 0.08659500 0.94306900 0.82174000 1.0 Mg Mg5 1 0.11908700 0.37004000 0.92006300 1.0 Mg Mg6 1 0.52645800 0.80463800 0.40487600 1.0 Mg Mg7 1 0.32026100 0.16921400 0.37433600 1.0 Mg Mg8 1 0.27052800 0.84878300 0.62294800 1.0 Mg Mg9 1 0.40910800 0.30435500 0.70408700 1.0 Mg Mg10 1 0.89610700 0.87601700 0.22421700 1.0 Mg Mg11 1 0.84594000 0.23642600 0.36996500 1.0 Mg Mg12 1 0.95476200 0.43955800 0.68671400 1.0 Mg Mg13 1 0.72110900 0.79835100 0.66924800 1.0 Mg Mg14 1 0.50136000 0.53223000 0.08301100 1.0 Mg Mg15 1 0.44774200 0.00779500 0.16975000 1.0 Si Si16 1 0.63006900 0.11700900 0.54969400 1.0 Si Si17 1 0.22528400 0.46683000 0.50909600 1.0 Si Si18 1 0.44856900 0.17077600 0.93438000 1.0 Si Si19 1 0.00028200 0.68498100 0.05170600 1.0 Si Si20 1 0.36030600 0.66480300 0.79251800 1.0 Si Si21 1 0.73669600 0.14653100 0.81703500 1.0 Si Si22 1 0.66061300 0.50373000 0.27852300 1.0 Si Si23 1 0.13738400 0.21388500 0.13890600 1.0 Si Si24 1 0.61923700 0.47777000 0.52394500 1.0 Si Si25 1 0.01985400 0.10035500 0.55616000 1.0 Si Si26 1 0.34764500 0.79280200 0.96558500 1.0 Si Si27 1 0.82717600 0.35207900 0.12527600 1.0