# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48313000 _cell_length_b 6.91800700 _cell_length_c 9.01534007 _cell_angle_alpha 69.09834266 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2 _chemical_formula_sum 'Mg4 Si8' _cell_volume 202.94106737 _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 0.50000000 0.05546200 0.72899700 1.0 Mg Mg1 1 0.00000000 0.32919200 0.15110200 1.0 Mg Mg2 1 0.00000000 0.67080800 0.84889800 1.0 Mg Mg3 1 0.50000000 0.94453800 0.27100300 1.0 Si Si4 1 0.00000000 0.00000000 0.50000000 1.0 Si Si5 1 0.50000000 0.70504700 0.09576100 1.0 Si Si6 1 0.50000000 0.29495300 0.90423900 1.0 Si Si7 1 0.50000000 0.71553700 0.59716300 1.0 Si Si8 1 0.00000000 0.56794800 0.34442200 1.0 Si Si9 1 0.00000000 0.43205200 0.65557800 1.0 Si Si10 1 0.00000000 0.00000000 0.00000000 1.0 Si Si11 1 0.50000000 0.28446300 0.40283700 1.0