# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37645200 _cell_length_b 7.23596640 _cell_length_c 9.61970361 _cell_angle_alpha 92.86236581 _cell_angle_beta 105.52207946 _cell_angle_gamma 97.34707574 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2 _chemical_formula_sum 'Mg8 Si16' _cell_volume 422.50345110 _cell_formula_units_Z 8 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 0.86350700 0.39896500 0.85662300 1.0 Mg Mg1 1 0.13649300 0.60103500 0.14337700 1.0 Mg Mg2 1 0.21296700 0.93802700 0.46271800 1.0 Mg Mg3 1 0.46666100 0.23946000 0.30353900 1.0 Mg Mg4 1 0.16814100 0.40276100 0.63100000 1.0 Mg Mg5 1 0.83185900 0.59723900 0.36900000 1.0 Mg Mg6 1 0.53333900 0.76054000 0.69646100 1.0 Mg Mg7 1 0.78703300 0.06197300 0.53728200 1.0 Si Si8 1 0.66429100 0.05367200 0.95388300 1.0 Si Si9 1 0.04901400 0.26795800 0.33351000 1.0 Si Si10 1 0.34202600 0.57393800 0.42432800 1.0 Si Si11 1 0.70503100 0.34679500 0.12084700 1.0 Si Si12 1 0.50317000 0.14656900 0.70392900 1.0 Si Si13 1 0.68751400 0.65195300 0.02754500 1.0 Si Si14 1 0.29496900 0.65320500 0.87915300 1.0 Si Si15 1 0.05999600 0.16244900 0.09060700 1.0 Si Si16 1 0.95098600 0.73204200 0.66649000 1.0 Si Si17 1 0.31248600 0.34804700 0.97245500 1.0 Si Si18 1 0.94000400 0.83755100 0.90939300 1.0 Si Si19 1 0.49683000 0.85343100 0.29607100 1.0 Si Si20 1 0.16150100 0.08883600 0.77755100 1.0 Si Si21 1 0.65797400 0.42606200 0.57567200 1.0 Si Si22 1 0.83849900 0.91116400 0.22244900 1.0 Si Si23 1 0.33570900 0.94632800 0.04611700 1.0