data_global
_chemical_name_mineral 'Aguilarite'
loop_
_publ_author_name
'Bindi L'
'Pingitore N E'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 77 
_journal_year 2013
_journal_page_first 21
_journal_page_last 31
_publ_section_title
;
 On the symmetry and crystal structure of aguilarite, Ag4SeS
;
_database_code_amcsd 0019989
_chemical_compound_source 'San Carlos mine, Guanajuato, Mexico'
_chemical_formula_sum 'Ag2 (Se.49 S.42 Te.09)'
_cell_length_a 4.2478
_cell_length_b 6.9432
_cell_length_c 8.0042
_cell_angle_alpha 90
_cell_angle_beta 100.103
_cell_angle_gamma 90
_cell_volume 232.410
_exptl_crystal_density_diffrn      7.984
_symmetry_space_group_name_H-M 'P 1 21/n 1'
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_occupancy
_atom_site_U_iso_or_equiv
Ag1   0.75442   0.01378   0.30116   1.00000   0.01762
Ag2   0.28840   0.31874   0.43144   1.00000   0.01803
Se   0.36030   0.24110   0.13054   0.49000   0.02162
S   0.36030   0.24110   0.13054   0.42000   0.02162
Te   0.36030   0.24110   0.13054   0.09000   0.02162
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
Ag1 0.01810 0.01774 0.01705 -0.00012 0.00318 0.00000
Ag2 0.01845 0.01826 0.01740 0.00002 0.00317 0.00019
Se 0.02150 0.02220 0.02112 -0.00033 0.00385 -0.00001
S 0.02150 0.02220 0.02112 -0.00033 0.00385 -0.00001
Te 0.02150 0.02220 0.02112 -0.00033 0.00385 -0.00001