# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07406400 _cell_length_b 7.20409009 _cell_length_c 12.92884532 _cell_angle_alpha 93.11788623 _cell_angle_beta 93.36740650 _cell_angle_gamma 108.18767766 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 534.96905422 _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 0.82928200 0.87537700 0.88776200 1.0 Mg Mg1 1 0.62094900 0.44150000 0.91353500 1.0 Mg Mg2 1 0.11905700 0.92957400 0.42732200 1.0 Mg Mg3 1 0.17263200 0.59027300 0.23936900 1.0 Mg Mg4 1 0.30921800 0.85486500 0.85668800 1.0 Mg Mg5 1 0.08558500 0.38770900 0.92199600 1.0 Mg Mg6 1 0.56705900 0.82794800 0.42249000 1.0 Mg Mg7 1 0.36815900 0.32623600 0.36667000 1.0 Mg Mg8 1 0.33762600 0.84312100 0.63089900 1.0 Mg Mg9 1 0.26329400 0.20485700 0.72150100 1.0 Mg Mg10 1 0.83297200 0.85749700 0.20053900 1.0 Mg Mg11 1 0.82049900 0.22422700 0.33031700 1.0 Mg Mg12 1 0.93243100 0.48437500 0.68855500 1.0 Mg Mg13 1 0.84664300 0.87636600 0.65274700 1.0 Mg Mg14 1 0.61583800 0.43274200 0.14670700 1.0 Mg Mg15 1 0.37583800 0.99803600 0.19776900 1.0 Si Si16 1 0.55167700 0.18347900 0.54372800 1.0 Si Si17 1 0.13157600 0.54900300 0.46870800 1.0 Si Si18 1 0.26259400 0.12492800 0.00550600 1.0 Si Si19 1 0.05814900 0.71356800 0.03645900 1.0 Si Si20 1 0.45049400 0.58742400 0.75204200 1.0 Si Si21 1 0.69729200 0.14897700 0.78325500 1.0 Si Si22 1 0.79353300 0.58875100 0.34532500 1.0 Si Si23 1 0.07058200 0.21902300 0.15112400 1.0 Si Si24 1 0.53884600 0.52702400 0.57317400 1.0 Si Si25 1 0.96365600 0.20902100 0.53232900 1.0 Si Si26 1 0.48631600 0.73761200 0.04223200 1.0 Si Si27 1 0.67915400 0.11332800 0.02538000 1.0