# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69646700 _cell_length_b 7.20291832 _cell_length_c 11.70695624 _cell_angle_alpha 92.74815792 _cell_angle_beta 89.56901574 _cell_angle_gamma 105.75953461 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 542.81457810 _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 0.04809500 0.29234500 0.04526200 1.0 Mg Mg1 1 0.56019500 0.30410400 0.11678300 1.0 Mg Mg2 1 0.25902800 0.04279300 0.54951900 1.0 Mg Mg3 1 0.38672800 0.82090000 0.76066100 1.0 Mg Mg4 1 0.10527100 0.92462800 0.17636800 1.0 Mg Mg5 1 0.62857400 0.89793100 0.08254400 1.0 Mg Mg6 1 0.16995500 0.45550100 0.60582200 1.0 Mg Mg7 1 0.85828700 0.71793300 0.63345800 1.0 Mg Mg8 1 0.12783100 0.68183400 0.38918600 1.0 Mg Mg9 1 0.69727100 0.63464500 0.28359300 1.0 Mg Mg10 1 0.10229500 0.11257400 0.78591300 1.0 Mg Mg11 1 0.76000100 0.11630200 0.62653600 1.0 Mg Mg12 1 0.49066900 0.99699800 0.32564700 1.0 Mg Mg13 1 0.24993100 0.30800000 0.32377200 1.0 Mg Mg14 1 0.44933000 0.47739700 0.89646000 1.0 Mg Mg15 1 0.91411400 0.46853700 0.82169900 1.0 Si Si16 1 0.85650100 0.33704000 0.43463200 1.0 Si Si17 1 0.52688800 0.78810800 0.51081000 1.0 Si Si18 1 0.84027600 0.63634600 0.03599500 1.0 Si Si19 1 0.32252400 0.05316000 0.96176600 1.0 Si Si20 1 0.32267800 0.62238300 0.18467300 1.0 Si Si21 1 0.85387800 0.17620400 0.24568900 1.0 Si Si22 1 0.50508000 0.33371200 0.68719700 1.0 Si Si23 1 0.76579000 0.80707100 0.86021600 1.0 Si Si24 1 0.54227900 0.44391300 0.49226500 1.0 Si Si25 1 0.89857400 0.95770800 0.40927500 1.0 Si Si26 1 0.20753300 0.69337000 0.99422900 1.0 Si Si27 1 0.69358800 0.11760500 0.89590100 1.0