# generated using pymatgen data_Mg3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88043200 _cell_length_b 8.10879566 _cell_length_c 10.48358635 _cell_angle_alpha 82.15363021 _cell_angle_beta 75.66539277 _cell_angle_gamma 65.96475126 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Si4 _chemical_formula_sum 'Mg12 Si16' _cell_volume 517.13465453 _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 0.52620100 0.40826700 0.43904900 1.0 Mg Mg1 1 0.86198400 0.60081800 0.40466200 1.0 Mg Mg2 1 0.77350100 0.23508400 0.91195100 1.0 Mg Mg3 1 0.18881500 0.99055000 0.10181100 1.0 Mg Mg4 1 0.71721100 0.65899300 0.76491600 1.0 Mg Mg5 1 0.29911600 0.54677200 0.81254600 1.0 Mg Mg6 1 0.37822500 0.11219900 0.35550900 1.0 Mg Mg7 1 0.12150700 0.82160500 0.36562100 1.0 Mg Mg8 1 0.40173000 0.80084400 0.56270000 1.0 Mg Mg9 1 0.94869000 0.92207600 0.72392800 1.0 Mg Mg10 1 0.85075300 0.54171600 0.04837500 1.0 Mg Mg11 1 0.34113300 0.27602300 0.05087000 1.0 Si Si12 1 0.41703100 0.59440500 0.04464500 1.0 Si Si13 1 0.80784800 0.90697200 0.21227800 1.0 Si Si14 1 0.95604500 0.15274200 0.48806000 1.0 Si Si15 1 0.67119400 0.99464100 0.52666100 1.0 Si Si16 1 0.54200400 0.15860900 0.72457300 1.0 Si Si17 1 0.15735400 0.26167800 0.81729800 1.0 Si Si18 1 0.53849600 0.76680900 0.24161500 1.0 Si Si19 1 0.30402700 0.46086800 0.25233900 1.0 Si Si20 1 0.71134300 0.38462400 0.64336500 1.0 Si Si21 1 0.12435300 0.32769700 0.59209800 1.0 Si Si22 1 0.01271100 0.81746400 0.98819900 1.0 Si Si23 1 0.59485000 0.94501700 0.93294200 1.0 Si Si24 1 0.10827700 0.62720200 0.59167000 1.0 Si Si25 1 0.27589800 0.93073900 0.83156100 1.0 Si Si26 1 0.98484700 0.29550000 0.25424600 1.0 Si Si27 1 0.69531100 0.24307200 0.18267500 1.0