# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55576000 _cell_length_b 6.98171453 _cell_length_c 12.81336089 _cell_angle_alpha 100.01072202 _cell_angle_beta 91.63247186 _cell_angle_gamma 103.68192165 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 559.66904453 _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 0.58051500 0.01260600 0.89991000 1.0 Mg Mg1 1 0.64518800 0.53786500 0.88269700 1.0 Mg Mg2 1 0.07616000 0.85158100 0.44083700 1.0 Mg Mg3 1 0.11760400 0.52418500 0.25114500 1.0 Mg Mg4 1 0.03685900 0.90197900 0.95139400 1.0 Mg Mg5 1 0.03278800 0.29708200 0.83684400 1.0 Mg Mg6 1 0.52279000 0.81808900 0.35880400 1.0 Mg Mg7 1 0.37755700 0.22686100 0.35460700 1.0 Mg Mg8 1 0.33378000 0.87529700 0.65328500 1.0 Mg Mg9 1 0.40979700 0.41985600 0.65541200 1.0 Mg Mg10 1 0.94027800 0.87199400 0.21121900 1.0 Mg Mg11 1 0.89519800 0.20950300 0.38811200 1.0 Mg Mg12 1 0.95222000 0.46706300 0.62753300 1.0 Mg Mg13 1 0.83669000 0.84839700 0.72905800 1.0 Mg Mg14 1 0.56542700 0.48762100 0.15631600 1.0 Mg Mg15 1 0.48324300 0.95106800 0.14733400 1.0 Si Si16 1 0.72235900 0.03701600 0.55233700 1.0 Si Si17 1 0.25796700 0.54571600 0.47435400 1.0 Si Si18 1 0.33381600 0.26507400 0.97289000 1.0 Si Si19 1 0.93288200 0.54484100 0.04938200 1.0 Si Si20 1 0.26620400 0.67395200 0.81407200 1.0 Si Si21 1 0.64994200 0.20293000 0.72580300 1.0 Si Si22 1 0.74959800 0.52372500 0.35519800 1.0 Si Si23 1 0.19791800 0.18362600 0.13787700 1.0 Si Si24 1 0.64636700 0.65578400 0.52839800 1.0 Si Si25 1 0.08143400 0.10784700 0.62134600 1.0 Si Si26 1 0.29281200 0.61444200 0.00044100 1.0 Si Si27 1 0.84356100 0.20083700 0.08752900 1.0