# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19475497 _cell_length_b 5.19475497 _cell_length_c 12.41895953 _cell_angle_alpha 75.54505107 _cell_angle_beta 75.54505107 _cell_angle_gamma 39.00545627 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2 _chemical_formula_sum 'Mg4 Si8' _cell_volume 203.39974151 _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 0.99567500 0.99567500 0.13062000 1.0 Mg Mg1 1 0.99584700 0.99584700 0.88781500 1.0 Mg Mg2 1 0.66731900 0.66731900 0.69836700 1.0 Mg Mg3 1 0.00705500 0.00705500 0.37224800 1.0 Si Si4 1 0.70952200 0.70952200 0.92829900 1.0 Si Si5 1 0.29429200 0.29429200 0.04914700 1.0 Si Si6 1 0.29501600 0.29501600 0.32578000 1.0 Si Si7 1 0.98648500 0.98648500 0.61624500 1.0 Si Si8 1 0.69892400 0.69892400 0.20075200 1.0 Si Si9 1 0.34787700 0.34787700 0.77365700 1.0 Si Si10 1 0.34966400 0.34966400 0.54019700 1.0 Si Si11 1 0.67619700 0.67619700 0.47669200 1.0