# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66891800 _cell_length_b 5.94341104 _cell_length_c 11.03888849 _cell_angle_alpha 102.60306945 _cell_angle_beta 91.71423641 _cell_angle_gamma 107.28566170 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2 _chemical_formula_sum 'Mg4 Si8' _cell_volume 223.14048702 _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 0.43578900 0.48749800 0.64520200 1.0 Mg Mg1 1 0.22779000 0.96584000 0.86814300 1.0 Mg Mg2 1 0.77221000 0.03416000 0.13185700 1.0 Mg Mg3 1 0.56421100 0.51250200 0.35479800 1.0 Si Si4 1 0.54711500 0.59544800 0.91334900 1.0 Si Si5 1 0.08800500 0.80976800 0.58121600 1.0 Si Si6 1 0.91199500 0.19023200 0.41878400 1.0 Si Si7 1 0.45288500 0.40455200 0.08665100 1.0 Si Si8 1 0.73150900 0.08924900 0.62113000 1.0 Si Si9 1 0.90905500 0.33433100 0.82748200 1.0 Si Si10 1 0.09094500 0.66566900 0.17251800 1.0 Si Si11 1 0.26849100 0.91075100 0.37887000 1.0