# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59649100 _cell_length_b 7.16110719 _cell_length_c 12.47985166 _cell_angle_alpha 97.79532493 _cell_angle_beta 87.83699939 _cell_angle_gamma 106.34425777 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 560.47393048 _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 0.69571400 0.86081500 0.88863700 1.0 Mg Mg1 1 0.52221400 0.39689200 0.90718000 1.0 Mg Mg2 1 0.08927400 0.92013200 0.36220700 1.0 Mg Mg3 1 0.11320000 0.54682100 0.19841600 1.0 Mg Mg4 1 0.20799700 0.95319400 0.83828300 1.0 Mg Mg5 1 0.00267200 0.28170300 0.89772900 1.0 Mg Mg6 1 0.55598200 0.81150900 0.41130300 1.0 Mg Mg7 1 0.43296400 0.30499100 0.41267700 1.0 Mg Mg8 1 0.40540900 0.79234800 0.64148100 1.0 Mg Mg9 1 0.33790900 0.29018400 0.67323600 1.0 Mg Mg10 1 0.92715300 0.93743800 0.11741400 1.0 Mg Mg11 1 0.84267400 0.20423700 0.31088000 1.0 Mg Mg12 1 0.94929200 0.49482500 0.69836500 1.0 Mg Mg13 1 0.91487800 0.92851500 0.64868600 1.0 Mg Mg14 1 0.60758800 0.52453600 0.19991600 1.0 Mg Mg15 1 0.46355000 0.92672900 0.19475500 1.0 Si Si16 1 0.66805500 0.16002400 0.55810200 1.0 Si Si17 1 0.15619700 0.56692500 0.47370000 1.0 Si Si18 1 0.35178600 0.12556000 0.03933100 1.0 Si Si19 1 0.85813100 0.57543100 0.02542200 1.0 Si Si20 1 0.30284300 0.60397300 0.82790600 1.0 Si Si21 1 0.63698200 0.14032000 0.75567100 1.0 Si Si22 1 0.82873600 0.57151000 0.39452700 1.0 Si Si23 1 0.24022200 0.22261500 0.21935500 1.0 Si Si24 1 0.66352100 0.55801200 0.57297800 1.0 Si Si25 1 0.03737200 0.22141800 0.51446600 1.0 Si Si26 1 0.23473900 0.73285400 0.01094900 1.0 Si Si27 1 0.73389800 0.20332700 0.07055500 1.0