data_global
_chemical_name_mineral 'Argentopyrite'
loop_
_publ_author_name
'Yang H'
'Pinch W W'
'Downs R T'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 1727
_journal_page_last 1730
_publ_section_title
;
 Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite
;
_database_code_amcsd 0004994
_chemical_compound_source 'Joachimstal, Bohemia, Czech Republic, type sample'
_chemical_formula_sum 'Ag Fe2 S3'
_cell_length_a 6.6902
_cell_length_b 11.4497
_cell_length_c 6.4525
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90.2420
_cell_volume 494.262
_exptl_crystal_density_diffrn      4.243
_symmetry_space_group_name_H-M 'P 1 1 21/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag   0.33197   0.16461   0.38491   0.03360
Fe1   0.83066   0.32887   0.37493   0.01580
Fe2   0.32872   0.49989   0.37518   0.01540
S1   0.14775   0.34665   0.27103   0.02040
S2   0.64979   0.48920   0.26747   0.01740
S3   0.68393   0.17049   0.23119   0.01740
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 0.03130 0.03510 0.03450 -0.00340 0.00030 -0.00400
Fe1 0.01460 0.01420 0.01860 -0.00080 0.00040 -0.00190
Fe2 0.01310 0.01480 0.01840 -0.00060 -0.00100 -0.00050
S1 0.01540 0.01980 0.02610 -0.00450 0.00180 -0.00410
S2 0.01470 0.01900 0.01840 0.00150 0.00150 0.00230
S3 0.01800 0.01560 0.01860 -0.00140 0.00090 -0.00390