# generated using pymatgen data_Mg3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72639200 _cell_length_b 7.26393760 _cell_length_c 11.76305739 _cell_angle_alpha 107.20797307 _cell_angle_beta 87.67941660 _cell_angle_gamma 104.75871404 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Si4 _chemical_formula_sum 'Mg12 Si16' _cell_volume 530.52480342 _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 0.35182300 0.91361000 0.54735600 1.0 Mg Mg1 1 0.55504700 0.57438900 0.62018000 1.0 Mg Mg2 1 0.28043700 0.07348600 0.12206600 1.0 Mg Mg3 1 0.04385600 0.21543100 0.92649100 1.0 Mg Mg4 1 0.69492300 0.42475200 0.19995000 1.0 Mg Mg5 1 0.56556600 0.82309600 0.21716700 1.0 Mg Mg6 1 0.06435000 0.55614200 0.66669300 1.0 Mg Mg7 1 0.88584700 0.99624400 0.64183700 1.0 Mg Mg8 1 0.80247200 0.23122000 0.44534100 1.0 Mg Mg9 1 0.02750800 0.84558800 0.29235800 1.0 Mg Mg10 1 0.53428000 0.24910300 0.92133800 1.0 Mg Mg11 1 0.39993700 0.63802900 0.92316500 1.0 Si Si12 1 0.66706800 0.04214400 0.04769400 1.0 Si Si13 1 0.79664100 0.56706300 0.86431100 1.0 Si Si14 1 0.18626700 0.22747200 0.51387500 1.0 Si Si15 1 0.95629200 0.63913600 0.46694300 1.0 Si Si16 1 0.09691000 0.45889000 0.27500700 1.0 Si Si17 1 0.31765200 0.46899500 0.10122000 1.0 Si Si18 1 0.67225200 0.29169800 0.69128600 1.0 Si Si19 1 0.38647200 0.86869400 0.76894800 1.0 Si Si20 1 0.41239300 0.11145000 0.35994100 1.0 Si Si21 1 0.36923300 0.43437300 0.38688200 1.0 Si Si22 1 0.73508000 0.87362300 0.84079600 1.0 Si Si23 1 0.01417500 0.61155300 0.04547400 1.0 Si Si24 1 0.65214300 0.73077100 0.42316200 1.0 Si Si25 1 0.91092600 0.11420500 0.20314800 1.0 Si Si26 1 0.29408500 0.27309300 0.71801200 1.0 Si Si27 1 0.10934800 0.83919400 0.90319600 1.0