# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68668900 _cell_length_b 7.52988829 _cell_length_c 8.38787707 _cell_angle_alpha 102.56168170 _cell_angle_beta 94.86344805 _cell_angle_gamma 91.33807021 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2 _chemical_formula_sum 'Mg4 Si8' _cell_volume 226.24912455 _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 0.55653900 0.98934200 0.90321200 1.0 Mg Mg1 1 0.50638500 0.66542200 0.52535800 1.0 Mg Mg2 1 0.00975900 0.00680400 0.48178100 1.0 Mg Mg3 1 0.08220300 0.35988000 0.97383800 1.0 Si Si4 1 0.03265500 0.69859400 0.79696400 1.0 Si Si5 1 0.87910800 0.35042600 0.32887500 1.0 Si Si6 1 0.55503100 0.22078900 0.69889800 1.0 Si Si7 1 0.46605100 0.85026600 0.22091500 1.0 Si Si8 1 0.97018700 0.65639600 0.26581900 1.0 Si Si9 1 0.04150600 0.38978700 0.62284000 1.0 Si Si10 1 0.34247800 0.16880600 0.20882400 1.0 Si Si11 1 0.57384700 0.64348800 0.97267700 1.0