# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36651800 _cell_length_b 7.08393272 _cell_length_c 12.41362627 _cell_angle_alpha 87.76306333 _cell_angle_beta 88.20609287 _cell_angle_gamma 78.83476838 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 548.67831313 _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 0.67351300 0.06344900 0.06683800 1.0 Mg Mg1 1 0.62499800 0.58141500 0.10175900 1.0 Mg Mg2 1 0.09931900 0.17944100 0.60111500 1.0 Mg Mg3 1 0.09019700 0.44687400 0.80047300 1.0 Mg Mg4 1 0.10371300 0.05709500 0.16165600 1.0 Mg Mg5 1 0.08287400 0.64432600 0.06715800 1.0 Mg Mg6 1 0.58893500 0.13936800 0.56722300 1.0 Mg Mg7 1 0.38191200 0.74480300 0.63211100 1.0 Mg Mg8 1 0.29307800 0.10811200 0.37632200 1.0 Mg Mg9 1 0.37321300 0.69250000 0.30091300 1.0 Mg Mg10 1 0.86913700 0.12567300 0.82306800 1.0 Mg Mg11 1 0.84767000 0.78694700 0.67451700 1.0 Mg Mg12 1 0.99670800 0.48639100 0.31532200 1.0 Mg Mg13 1 0.71991800 0.19846000 0.31470600 1.0 Mg Mg14 1 0.53819600 0.50921700 0.86426100 1.0 Mg Mg15 1 0.42631100 0.06241500 0.79287200 1.0 Si Si16 1 0.70444200 0.83460900 0.42899700 1.0 Si Si17 1 0.26786200 0.48758600 0.48610800 1.0 Si Si18 1 0.35223000 0.87489600 0.98848000 1.0 Si Si19 1 0.91346200 0.32390100 0.99757900 1.0 Si Si20 1 0.36227300 0.33896800 0.18621900 1.0 Si Si21 1 0.78282300 0.81788700 0.23258400 1.0 Si Si22 1 0.74458400 0.42849300 0.66826800 1.0 Si Si23 1 0.16532200 0.79510700 0.83475800 1.0 Si Si24 1 0.65525200 0.49371600 0.47579200 1.0 Si Si25 1 0.06738600 0.85576400 0.47840200 1.0 Si Si26 1 0.29854500 0.26558600 0.99275000 1.0 Si Si27 1 0.75708000 0.80016400 0.90562100 1.0