# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73697300 _cell_length_b 5.66295092 _cell_length_c 16.65065927 _cell_angle_alpha 86.79491062 _cell_angle_beta 82.39176225 _cell_angle_gamma 66.87775517 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 407.15755018 _cell_formula_units_Z 2 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 0.07928800 0.61564000 0.05075000 1.0 Mg Mg1 1 0.91471300 0.42741100 0.35650300 1.0 Mg Mg2 1 0.42175000 0.22580500 0.68439500 1.0 Mg Mg3 1 0.35934700 0.88389300 0.34327600 1.0 Mg Mg4 1 0.90701200 0.86065900 0.22723400 1.0 Mg Mg5 1 0.23628200 0.43302600 0.86260100 1.0 Mg Mg6 1 0.20481300 0.68307600 0.55260200 1.0 Mg Mg7 1 0.91987100 0.26562100 0.53800800 1.0 Mg Mg8 1 0.75966300 0.21375200 0.08620200 1.0 Mg Mg9 1 0.55511000 0.83734800 0.81971800 1.0 Si Si10 1 0.38474600 0.01019800 0.97967300 1.0 Si Si11 1 0.65767100 0.54274500 0.95957800 1.0 Si Si12 1 0.81785500 0.92829100 0.41282500 1.0 Si Si13 1 0.56454100 0.94990800 0.55049600 1.0 Si Si14 1 0.87439000 0.09073100 0.92063900 1.0 Si Si15 1 0.41894400 0.89128800 0.13106900 1.0 Si Si16 1 0.55949200 0.49367600 0.22621200 1.0 Si Si17 1 0.72560600 0.60189200 0.66919100 1.0 Si Si18 1 0.14575600 0.73199400 0.71991800 1.0 Si Si19 1 0.41049200 0.34643600 0.43125500 1.0 Si Si20 1 0.17069100 0.30668600 0.20158900 1.0 Si Si21 1 0.90849500 0.16371500 0.77276300 1.0