data_global
_chemical_name_mineral 'Bonazziite'
loop_
_publ_author_name
'Burns P C'
'Percival J B'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 39 
_journal_year 2001
_journal_page_first 809
_journal_page_last 818
_publ_section_title
;
 Alacranite, As4S4: A new occurrence, new formula, and determination
 of the crystal structure
 Note: This mineral was misidentified by the authors
;
_database_code_amcsd 0005723
_chemical_compound_source 'Conical Seamount, Lihir Island, Papua, New Guinea.'
_chemical_formula_sum 'As S'
_cell_length_a 9.943
_cell_length_b 9.366
_cell_length_c 8.908
_cell_angle_alpha 90
_cell_angle_beta 102.007
_cell_angle_gamma 90
_cell_volume 811.418
_exptl_crystal_density_diffrn      3.503
_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_U_iso_or_equiv
As(1)   0.00010   0.20580   0.05620   0.04520
As(2)  -0.15960   0.40240   0.12780   0.04530
S(1)   0.00000   0.05600   0.25000   0.04900
S(2)   0.20230   0.30440   0.16060   0.05100
S(3)   0.00000   0.55270   0.25000   0.05700
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
As(1) 0.04790 0.05000 0.03650 -0.00970 0.00620 -0.00950
As(2) 0.03530 0.04760 0.04760 0.00010 -0.00400 0.01070
S(1) 0.05400 0.03400 0.05300 0.00000 0.00600 0.00000
S(2) 0.03500 0.06600 0.05400 -0.00700 0.01400 -0.01000
S(3) 0.05100 0.03400 0.07700 0.00000 -0.00600 0.00000