data_global _chemical_name_mineral 'Bonazziite' loop_ _publ_author_name 'Porter E J' 'Sheldrick G M' _journal_name_full 'Dalton Transactions' _journal_volume 1972 _journal_year 1972 _journal_page_first 1347 _journal_page_last 1349 _publ_section_title ; Crystal structure of a new crystalline modification of tetra-arsenic tetrasuphide (2,3,4,8-tetrathia1,2,3,7-tetra-arsatricyclo[3,3,0,0]-octane) ; _database_code_amcsd 0012424 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'As S' _cell_length_a 9.957 _cell_length_b 9.335 _cell_length_c 8.889 _cell_angle_alpha 90 _cell_angle_beta 102.48 _cell_angle_gamma 90 _cell_volume 806.698 _exptl_crystal_density_diffrn 3.524 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z As1 -0.00120 -0.20580 0.05510 As2 -0.15990 -0.40120 0.12610 S1 0.00000 -0.05310 0.25000 S2 0.00000 -0.55220 0.25000 S3 -0.20150 -0.30480 0.34060 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 As1 0.04950 0.04510 0.03750 0.00860 0.00700 0.00910 As2 0.03630 0.04410 0.04590 0.00120 -0.00380 -0.00700 S1 0.05650 0.03790 0.05240 0.00000 0.00490 0.00000 S2 0.05950 0.03090 0.06630 0.00000 -0.00020 0.00000 S3 0.04200 0.06190 0.05910 -0.00900 0.01530 -0.01330