# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82550500 _cell_length_b 7.29248714 _cell_length_c 11.52604164 _cell_angle_alpha 91.48472629 _cell_angle_beta 95.37145318 _cell_angle_gamma 107.25618982 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 544.60790993 _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 0.63416400 0.87594900 0.94516600 1.0 Mg Mg1 1 0.69542400 0.48573600 0.87176400 1.0 Mg Mg2 1 0.13486800 0.87295800 0.46278300 1.0 Mg Mg3 1 0.11763400 0.58179600 0.25600500 1.0 Mg Mg4 1 0.16454200 0.86763500 0.86284900 1.0 Mg Mg5 1 0.02690900 0.23111200 0.89559200 1.0 Mg Mg6 1 0.55088200 0.84857700 0.39938400 1.0 Mg Mg7 1 0.34554100 0.26785200 0.35570900 1.0 Mg Mg8 1 0.41126800 0.80686100 0.66444200 1.0 Mg Mg9 1 0.30412100 0.23357900 0.68698800 1.0 Mg Mg10 1 0.91334400 0.93618000 0.22369700 1.0 Mg Mg11 1 0.76246300 0.25101400 0.31425400 1.0 Mg Mg12 1 0.97189100 0.47975300 0.66540700 1.0 Mg Mg13 1 0.86814800 0.91075600 0.66058400 1.0 Mg Mg14 1 0.61544800 0.51033300 0.13988200 1.0 Mg Mg15 1 0.38496800 0.95814800 0.15627100 1.0 Si Si16 1 0.62964000 0.17388100 0.54691700 1.0 Si Si17 1 0.24709500 0.52490200 0.49450400 1.0 Si Si18 1 0.42501500 0.19526100 0.97930500 1.0 Si Si19 1 0.96226000 0.71843500 0.04394600 1.0 Si Si20 1 0.31766100 0.55310400 0.83105400 1.0 Si Si21 1 0.65806600 0.14670400 0.76049400 1.0 Si Si22 1 0.77467600 0.61462700 0.36411000 1.0 Si Si23 1 0.19761700 0.27950900 0.12501500 1.0 Si Si24 1 0.61871200 0.54118400 0.54696600 1.0 Si Si25 1 0.00180700 0.19089600 0.49419600 1.0 Si Si26 1 0.25617000 0.59684300 0.03200300 1.0 Si Si27 1 0.79062200 0.20325400 0.08484300 1.0