data_global
_chemical_name_mineral 'Bohdanowiczite'
loop_
_publ_author_name
'Geller S'
'Wernick J H'
_journal_name_full 'Acta Crystallographica'
_journal_volume 12 
_journal_year 1959
_journal_page_first 46
_journal_page_last 54
_publ_section_title
;
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
 AgSbTe2, AgBiS2, AgBiSe2
;
_database_code_amcsd 0009217
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ag Bi Se2'
_cell_length_a 4.18
_cell_length_b 4.18
_cell_length_c 19.67
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 297.637
_exptl_crystal_density_diffrn      7.946
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag1   0.00000   0.00000   0.00000   0.00633
Bi1   0.00000   0.00000   0.50000   0.00633
Ag2   0.33333   0.66667  -0.32800   0.00633
Bi2   0.33333   0.66667   0.16300   0.00633
Se1   0.00000   0.00000   0.25300   0.00633
Se2   0.33333   0.66667  -0.07400   0.00633
Se3   0.33333   0.66667   0.40600   0.00633