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