data_global
_chemical_name_mineral 'Digenite'
loop_
_publ_author_name
'Donnay G'
'Donnay J D H'
'Kullerud G'
_journal_name_full 'American Mineralogist'
_journal_volume 43 
_journal_year 1958
_journal_page_first 228
_journal_page_last 242
_publ_section_title
;
 Crystal and twin structure of digenite, Cu9S5
;
_database_code_amcsd 0000082
_chemical_formula_sum 'Cu17 S9'
_cell_length_a 16.16
_cell_length_b 16.16
_cell_length_c 16.16
_cell_angle_alpha 13.93
_cell_angle_beta 13.93
_cell_angle_gamma 13.93
_cell_volume 212.851
_exptl_crystal_density_diffrn     10.679
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.50000   0.50000   0.50000
Cu   0.06000   0.06000   0.06000
Cu  -0.06000  -0.06000  -0.06000
Cu   0.13300   0.13300   0.13300
Cu  -0.13300  -0.13300  -0.13300
Cu   0.25000   0.25000   0.25000
Cu  -0.25000  -0.25000  -0.25000
Cu   0.35000   0.35000   0.35000
Cu  -0.35000  -0.35000  -0.35000
S   0.00000   0.00000   0.00000
S   0.20000   0.20000   0.20000
S  -0.20000  -0.20000  -0.20000
S   0.40000   0.40000   0.40000
S  -0.40000  -0.40000  -0.40000