data_global
_chemical_name_mineral 'Sternbergite'
loop_
_publ_author_name
'Pertlik F'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1987 
_journal_year 1987
_journal_page_first 458
_journal_page_last 464
_publ_section_title
;
 Crystal structure of sternbergite, AgFe2S3
;
_database_code_amcsd 0014818
_chemical_compound_source 'Medenec, Krusne hory Mts, Czechoslovakia'
_chemical_formula_sum 'Ag Fe2 S3'
_cell_length_a 6.615
_cell_length_b 11.639
_cell_length_c 12.693
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 977.259
_exptl_crystal_density_diffrn      4.292
_symmetry_space_group_name_H-M 'C c m b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '1/2-x,y,1/2+z'
  '-x,1/2+y,1/2+z'
  '1/2+x,-y,1/2-z'
  '+x,1/2-y,1/2-z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-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
Ag   0.85310   0.00000   0.69960
Fe   0.83350   0.33510   0.56350
S1   0.69520   0.00000   0.88000
S2   0.66580   0.17860   0.61790
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
Ag 0.02830 0.02480 0.05960 0.00000 0.00830 0.00000
Fe 0.01860 0.00870 0.02610 0.00100 0.00170 0.00040
S1 0.03230 0.00990 0.04400 0.00000 -0.00890 0.00000
S2 0.02240 0.01420 0.03400 -0.00410 -0.00080 0.00410