data_global
_chemical_name_mineral 'Pearceite'
loop_
_publ_author_name
'Bindi L'
'Evain M'
'Menchetti S'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 62 
_journal_year 2006
_journal_page_first 212
_journal_page_last 219
_publ_section_title
;
 Temperature dependence of the silver distribution in the
 crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11
 Sample: T = 300 K
;
_database_code_amcsd 0009935
_chemical_compound_source 'Clara mine, Black Forest, Germany'
_chemical_formula_sum '(As1.18 Sb.82) Ag13.032 Cu2.968 S11'
_cell_length_a 7.3876
_cell_length_b 7.3876
_cell_length_c 11.8882
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 561.893
_exptl_crystal_density_diffrn      6.310
_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_occupancy
_atom_site_U_iso_or_equiv
As   0.33333   0.66667   0.40748   0.59000   0.02317
Sb   0.33333   0.66667   0.40748   0.41000   0.02317
Ag1   0.30090   0.15043   0.38526   0.67200   0.05280
Cu1   0.30090   0.15043   0.38526   0.32800   0.05280
Ag2   0.35660   0.24000   0.12330   0.36600   0.34500
Ag3   0.29210   0.38080   0.11740   0.38400   0.11900
Cu2   0.00000   0.00000   0.00000   1.00000   0.02820
S1   0.00000   0.00000   0.18164   1.00000   0.02670
S2   0.01656   0.50828   0.31324   1.00000   0.02690
S3   0.66667   0.33333   0.01740   1.00000   0.04280
S4   0.00000   0.00000   0.50000   1.00000   0.11400
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
As 0.02420 0.02420 0.02110 0.01210 0.00000 0.00000
Sb 0.02420 0.02420 0.02110 0.01210 0.00000 0.00000
Ag1 0.06760 0.04040 0.05960 0.03380 -0.00210 -0.00110
Cu1 0.06760 0.04040 0.05960 0.03380 -0.00210 -0.00110
Ag2 0.03880 0.62000 0.04470 -0.08200 0.00640 -0.01800
Ag3 0.19400 0.11000 0.04900 0.07200 -0.02870 0.00020
Cu2 0.03500 0.03500 0.01480 0.01750 0.00000 0.00000
S1 0.03240 0.03240 0.01540 0.01620 0.00000 0.00000
S2 0.02190 0.02510 0.03250 0.01090 0.00090 0.00045
S3 0.04370 0.04370 0.04110 0.02190 0.00000 0.00000
S4 0.15700 0.15700 0.02800 0.07870 0.00000 0.00000