data_global _amcsd_formula_title 'H N S7' loop_ _publ_author_name 'Gasperin M' 'Freymann R' 'Garcia-Fernandez H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 38 _journal_year 1982 _journal_page_first 1728 _journal_page_last 1731 _publ_section_title ; Les Complexes a Transfert de Charge Octasoufre - Sulfurimine. Etude Structurale du Compose Octasoufre - Cyclotetraazathiane (3:1) _cod_database_code 1001159 ; _database_code_amcsd 0009767 _chemical_formula_sum '(S.875 N.125)' _cell_length_a 8.440 _cell_length_b 13.034 _cell_length_c 8.203 _cell_angle_alpha 90 _cell_angle_beta 112.49 _cell_angle_gamma 90 _cell_volume 833.757 _exptl_crystal_density_diffrn 1.900 _symmetry_space_group_name_H-M 'P 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S1 0.45770 0.89350 0.15040 0.87500 S2 0.11930 0.79760 0.19920 0.87500 S3 -0.02240 0.03080 0.22030 0.87500 S4 0.31930 0.12710 0.17020 0.87500 S5 0.84010 0.57930 0.02920 0.87500 S6 0.71300 0.44300 -0.03220 0.87500 S7 0.82390 0.34580 0.17570 0.87500 S8 0.69960 0.67690 0.11560 0.87500 N1 0.45770 0.89350 0.15040 0.12500 N2 0.11930 0.79760 0.19920 0.12500 N3 -0.02240 0.03080 0.22030 0.12500 N4 0.31930 0.12710 0.17020 0.12500 N5 0.84010 0.57930 0.02920 0.12500 N6 0.71300 0.44300 -0.03220 0.12500 N7 0.82390 0.34580 0.17570 0.12500 N8 0.69960 0.67690 0.11560 0.12500