# generated using pymatgen data_Mg3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58492200 _cell_length_b 7.14670874 _cell_length_c 11.81023880 _cell_angle_alpha 102.85950099 _cell_angle_beta 89.99784599 _cell_angle_gamma 107.89530548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Si4 _chemical_formula_sum 'Mg12 Si16' _cell_volume 514.23940886 _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 0.35325400 0.89102500 0.54128800 1.0 Mg Mg1 1 0.59904300 0.53574600 0.62306900 1.0 Mg Mg2 1 0.19996200 0.03498800 0.08659900 1.0 Mg Mg3 1 0.99837100 0.24695400 0.90187500 1.0 Mg Mg4 1 0.64814500 0.42468400 0.21699700 1.0 Mg Mg5 1 0.50691700 0.81748000 0.21845400 1.0 Mg Mg6 1 0.09841300 0.52509700 0.66111400 1.0 Mg Mg7 1 0.91396000 0.96074300 0.63740000 1.0 Mg Mg8 1 0.77537200 0.18234800 0.45509600 1.0 Mg Mg9 1 0.01115900 0.86087900 0.29996400 1.0 Mg Mg10 1 0.52850900 0.29860100 0.93896900 1.0 Mg Mg11 1 0.34910000 0.66825000 0.92184200 1.0 Si Si12 1 0.65137300 0.05637100 0.05670400 1.0 Si Si13 1 0.88557500 0.56871800 0.86249700 1.0 Si Si14 1 0.19512300 0.19185100 0.51138600 1.0 Si Si15 1 0.93855500 0.60880500 0.46834600 1.0 Si Si16 1 0.08490800 0.48766500 0.27820400 1.0 Si Si17 1 0.27714500 0.45213000 0.09180800 1.0 Si Si18 1 0.69592600 0.24751600 0.71370800 1.0 Si Si19 1 0.52910500 0.88539600 0.75209700 1.0 Si Si20 1 0.40212100 0.13612000 0.33655900 1.0 Si Si21 1 0.33530900 0.45786200 0.40976200 1.0 Si Si22 1 0.77383700 0.86325800 0.88992800 1.0 Si Si23 1 0.00260600 0.61244300 0.07064900 1.0 Si Si24 1 0.65349500 0.73756300 0.42307100 1.0 Si Si25 1 0.88957600 0.13876700 0.22381300 1.0 Si Si26 1 0.30315300 0.26706900 0.72633500 1.0 Si Si27 1 0.18297500 0.93511500 0.81630200 1.0