# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78447200 _cell_length_b 6.14314300 _cell_length_c 9.75070093 _cell_angle_alpha 77.48232805 _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 221.30108979 _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 0.00000000 0.87689900 0.15118600 1.0 Mg Mg1 1 0.00000000 0.57565500 0.82979800 1.0 Mg Mg2 1 0.50000000 0.97091900 0.67492600 1.0 Mg Mg3 1 0.50000000 0.48007900 0.33393900 1.0 Si Si4 1 0.00000000 0.09955500 0.83997500 1.0 Si Si5 1 0.50000000 0.56200800 0.04487200 1.0 Si Si6 1 0.00000000 0.12253400 0.40243800 1.0 Si Si7 1 0.50000000 0.58010600 0.60125800 1.0 Si Si8 1 0.00000000 0.33599700 0.15291000 1.0 Si Si9 1 0.50000000 0.17284600 0.98099100 1.0 Si Si10 1 0.00000000 0.33688500 0.59605600 1.0 Si Si11 1 0.50000000 0.88683000 0.39135900 1.0