data_global
_chemical_name_mineral 'Bonazziite'
loop_
_publ_author_name
'Bonazzi P'
'Bindi L'
'Pratesi G'
'Menchetti S'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 1323
_journal_page_last 1330
_publ_section_title
;
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: ALA15-600, light exposure for t = 600 minutes
 Note: bonazziite - alacranite series
;
_database_code_amcsd 0004222
_chemical_formula_sum 'As2 S2.19'
_cell_length_a 9.885
_cell_length_b 9.446
_cell_length_c 9.118
_cell_angle_alpha 90
_cell_angle_beta 101.32
_cell_angle_gamma 90
_cell_volume 834.819
_exptl_crystal_density_diffrn      3.502
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
As1  -0.00650  -0.21700   0.05770   0.62000   0.07100
As1b   0.04900  -0.17200   0.07400   0.38000   0.09000
As2  -0.16330  -0.40850   0.13600   0.62000   0.07600
As2b  -0.12100  -0.46300   0.17600   0.38000   0.08000
S1   0.00000  -0.06290   0.25000   1.00000   0.08900
S2   0.00000  -0.56000   0.25000   0.62000   0.10700
S3  -0.20320  -0.31670   0.33810   1.00000   0.08900
S4  -0.10400  -0.32400  -0.00800   0.38000   0.08700
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 0.07700 0.08200 0.05100 0.00400 0.00600 0.00900
As1b 0.10000 0.05500 0.11000 0.01900 0.01500 0.01000
As2 0.05400 0.06900 0.09600 0.00800 -0.00600 -0.02100
As2b 0.08000 0.09400 0.07200 -0.01800 0.03200 -0.03500
S1 0.10100 0.06000 0.10900 0.00000 0.02700 0.00000
S2 0.05600 0.05200 0.19000 0.00000 -0.03000 0.00000
S3 0.06500 0.11600 0.09300 -0.01500 0.03200 -0.00500
S4 0.12000 0.07000 0.06000 0.03000 -0.01000 -0.00400