# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85980000 _cell_length_b 7.64591097 _cell_length_c 12.52182146 _cell_angle_alpha 84.50526088 _cell_angle_beta 83.90181643 _cell_angle_gamma 72.67189795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 531.31277855 _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 0.99444600 0.28617300 0.97774400 1.0 Mg Mg1 1 0.50272200 0.31935900 0.89502500 1.0 Mg Mg2 1 0.67895500 0.09645700 0.46792700 1.0 Mg Mg3 1 0.58741900 0.76984000 0.24304200 1.0 Mg Mg4 1 0.92298700 0.94782100 0.81488100 1.0 Mg Mg5 1 0.39371900 0.94074800 0.91455000 1.0 Mg Mg6 1 0.85852800 0.43831600 0.40603000 1.0 Mg Mg7 1 0.07960800 0.75950100 0.36426700 1.0 Mg Mg8 1 0.92046500 0.62500900 0.59231400 1.0 Mg Mg9 1 0.31080500 0.62084500 0.73094300 1.0 Mg Mg10 1 0.79720600 0.13219100 0.23165200 1.0 Mg Mg11 1 0.25328900 0.09727800 0.35157700 1.0 Mg Mg12 1 0.50562400 0.94213000 0.67487100 1.0 Mg Mg13 1 0.71058500 0.28530900 0.66254700 1.0 Mg Mg14 1 0.54033500 0.47566100 0.10861100 1.0 Mg Mg15 1 0.05351700 0.47580800 0.17578100 1.0 Si Si16 1 0.17940400 0.23451100 0.57278500 1.0 Si Si17 1 0.51520500 0.78252600 0.47453100 1.0 Si Si18 1 0.20121300 0.65232800 0.96795200 1.0 Si Si19 1 0.74499300 0.03007700 0.03087400 1.0 Si Si20 1 0.77425500 0.55546300 0.80146600 1.0 Si Si21 1 0.16245400 0.29399700 0.76318500 1.0 Si Si22 1 0.40645700 0.40551400 0.32610900 1.0 Si Si23 1 0.14282800 0.84976700 0.12271400 1.0 Si Si24 1 0.40288500 0.49207200 0.50759600 1.0 Si Si25 1 0.08898000 0.93361100 0.58198900 1.0 Si Si26 1 0.78847100 0.67291800 0.97852300 1.0 Si Si27 1 0.33947800 0.10382200 0.12464200 1.0