# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44887200 _cell_length_b 7.09724083 _cell_length_c 12.52041444 _cell_angle_alpha 92.18384257 _cell_angle_beta 92.05779157 _cell_angle_gamma 103.93291680 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 555.18451770 _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 0.66935000 0.90232800 0.91664200 1.0 Mg Mg1 1 0.60492800 0.39006600 0.89863100 1.0 Mg Mg2 1 0.11091100 0.84550200 0.41710200 1.0 Mg Mg3 1 0.09594600 0.56245200 0.20953400 1.0 Mg Mg4 1 0.12117200 0.89363300 0.84906200 1.0 Mg Mg5 1 0.05626900 0.31481400 0.93391200 1.0 Mg Mg6 1 0.58490100 0.86927000 0.42210300 1.0 Mg Mg7 1 0.37761000 0.28593500 0.36750700 1.0 Mg Mg8 1 0.40490100 0.85147000 0.66363200 1.0 Mg Mg9 1 0.33401900 0.27533100 0.68517100 1.0 Mg Mg10 1 0.85399300 0.87204700 0.18687700 1.0 Mg Mg11 1 0.82779200 0.22689500 0.31343900 1.0 Mg Mg12 1 0.97859900 0.50927600 0.69020800 1.0 Mg Mg13 1 0.90063200 0.90716100 0.63834200 1.0 Mg Mg14 1 0.54013600 0.48057400 0.14083200 1.0 Mg Mg15 1 0.41116500 0.95632000 0.20736500 1.0 Si Si16 1 0.68028100 0.20075600 0.55030000 1.0 Si Si17 1 0.27308600 0.54513300 0.51931000 1.0 Si Si18 1 0.34409600 0.11250500 0.01585600 1.0 Si Si19 1 0.90226700 0.65791500 0.01169400 1.0 Si Si20 1 0.34146200 0.60292500 0.83361000 1.0 Si Si21 1 0.71644500 0.16387900 0.74837000 1.0 Si Si22 1 0.75477400 0.58330800 0.33886900 1.0 Si Si23 1 0.15746200 0.20751900 0.16674100 1.0 Si Si24 1 0.66188900 0.55531100 0.53069900 1.0 Si Si25 1 0.04252500 0.19296500 0.50061400 1.0 Si Si26 1 0.28786000 0.70893500 0.02051500 1.0 Si Si27 1 0.74648100 0.18261500 0.08719200 1.0