# generated using pymatgen data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77805500 _cell_length_b 7.70967600 _cell_length_c 9.31516754 _cell_angle_alpha 77.31943918 _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 194.64509731 _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 0.14614400 0.86071600 1.0 Mg Mg1 1 0.00000000 0.28974300 0.36851900 1.0 Mg Mg2 1 0.00000000 0.85385600 0.13928400 1.0 Mg Mg3 1 0.00000000 0.71025700 0.63148100 1.0 Si Si4 1 0.50000000 0.81082700 0.87494400 1.0 Si Si5 1 0.50000000 0.95522600 0.37861200 1.0 Si Si6 1 0.50000000 0.53189300 0.12568200 1.0 Si Si7 1 0.50000000 0.38291600 0.61696800 1.0 Si Si8 1 0.50000000 0.18917300 0.12505600 1.0 Si Si9 1 0.50000000 0.04477400 0.62138800 1.0 Si Si10 1 0.50000000 0.46810700 0.87431800 1.0 Si Si11 1 0.50000000 0.61708400 0.38303200 1.0