# generated using pymatgen data_Mg3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13175921 _cell_length_b 13.32853429 _cell_length_c 6.65002594 _cell_angle_alpha 116.38735247 _cell_angle_beta 107.93206398 _cell_angle_gamma 96.73128258 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Si4 _chemical_formula_sum 'Mg12 Si16' _cell_volume 514.26421019 _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 0.83387000 0.56021400 0.88075000 1.0 Mg Mg1 1 0.54039600 0.61898900 0.22184300 1.0 Mg Mg2 1 0.01918200 0.06240800 0.19842500 1.0 Mg Mg3 1 0.23161800 0.90552100 0.86628400 1.0 Mg Mg4 1 0.41935000 0.22279000 0.92834600 1.0 Mg Mg5 1 0.82583900 0.15576000 0.84336700 1.0 Mg Mg6 1 0.45705700 0.65145900 0.69796000 1.0 Mg Mg7 1 0.95776500 0.61652900 0.52647500 1.0 Mg Mg8 1 0.14748100 0.44510400 0.12820800 1.0 Mg Mg9 1 0.90218800 0.34260500 0.36375200 1.0 Mg Mg10 1 0.32945300 0.96148000 0.45599900 1.0 Mg Mg11 1 0.65867100 0.90718800 0.21032400 1.0 Si Si12 1 0.05060500 0.05261000 0.60168600 1.0 Si Si13 1 0.55658900 0.87134600 0.72842200 1.0 Si Si14 1 0.18533300 0.53063000 0.81128400 1.0 Si Si15 1 0.54391200 0.44717200 0.38747500 1.0 Si Si16 1 0.73775500 0.28717700 0.63521000 1.0 Si Si17 1 0.44765000 0.12103900 0.32717700 1.0 Si Si18 1 0.23864100 0.72598500 0.39327200 1.0 Si Si19 1 0.89707000 0.76404500 0.32018900 1.0 Si Si20 1 0.06251900 0.24623900 0.66091100 1.0 Si Si21 1 0.42028300 0.42570500 0.69913600 1.0 Si Si22 1 0.86047500 0.91710200 0.66866500 1.0 Si Si23 1 0.61959400 0.07507700 0.04516100 1.0 Si Si24 1 0.70068600 0.40762300 0.01197500 1.0 Si Si25 1 0.25685400 0.27069400 0.27879900 1.0 Si Si26 1 0.27439200 0.74840600 0.05097100 1.0 Si Si27 1 0.91821500 0.79294000 0.97475900 1.0