data_global _amcsd_formula_title 'C6H9SI' loop_ _publ_author_name 'Marsh R E' 'Herbstein F H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 44 _journal_year 1988 _journal_page_first 77 _journal_page_last 88 _publ_section_title ; More space-group changes ; _database_code_amcsd 0009822 _chemical_formula_sum 'C6 S I' _cell_length_a 18.038 _cell_length_b 6.611 _cell_length_c 7.420 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 884.829 _exptl_crystal_density_diffrn 1.734 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C15 0.13020 0.62910 0.43650 C24 0.19700 0.76850 0.41850 C3 0.19400 0.89710 0.25000 C6 0.04190 0.33600 0.25000 S 0.13182 0.45380 0.25000 I 0.08495 0.14397 0.75000