# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20010959 _cell_length_b 3.43779868 _cell_length_c 12.88995250 _cell_angle_alpha 105.45025262 _cell_angle_beta 107.99878469 _cell_angle_gamma 71.75407610 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2 _chemical_formula_sum 'Mg4 Si8' _cell_volume 204.43275184 _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 0.14241900 0.87036800 0.86305200 1.0 Mg Mg1 1 0.17174200 0.10006400 0.10595100 1.0 Mg Mg2 1 0.49189100 0.63784400 0.29796100 1.0 Mg Mg3 1 0.17048100 0.62529800 0.62525200 1.0 Si Si4 1 0.61251700 0.35721800 0.08212200 1.0 Si Si5 1 0.74730600 0.66319800 0.95197000 1.0 Si Si6 1 0.74264000 0.38000200 0.67035900 1.0 Si Si7 1 0.13309500 0.41619900 0.38840100 1.0 Si Si8 1 0.55444700 0.10343200 0.80069900 1.0 Si Si9 1 0.88467500 0.88170300 0.23526500 1.0 Si Si10 1 0.83999000 0.12632300 0.45943600 1.0 Si Si11 1 0.50855800 0.83859900 0.51971400 1.0