data_global
_chemical_name_mineral 'Gustavite'
loop_
_publ_author_name
'Pazout R'
'Dusek M'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 65 
_journal_year 2009
_journal_page_first i77
_journal_page_last i80
_publ_section_title
;
 Natural monoclinic AgPb(Bi2Sb)S6, an Sb-rich gustavite,
;
_database_code_amcsd 0017602
_chemical_compound_source 'Kutna Hora polymetallic deposit, Czech Republic'
_chemical_formula_sum 'Ag Pb Bi1.998 Sb.911 S6'
_cell_length_a 7.0455
_cell_length_b 19.5294
_cell_length_c 8.3412
_cell_angle_alpha 90
_cell_angle_beta 107.446
_cell_angle_gamma 90
_cell_volume 1094.908
_exptl_crystal_density_diffrn      6.284
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Ag1b   0.85710   0.36619   0.21410   1.00000   0.04930
Pb3   0.36678   0.24985   0.34306   1.00000   0.03500
Bi1a   0.82041   0.13967   0.20339   0.90900   0.02380
Bi2b   0.26197   0.45056   0.06313   0.73900   0.02420
Sb2b   0.26197   0.45056   0.06313   0.26100   0.02420
Sb2a   0.27930   0.05451   0.07319   0.65000   0.02190
Bi2a   0.27930   0.05451   0.07319   0.35000   0.02190
S3   0.65120   0.25990   0.16420   1.00000   0.02500
S4b   0.09240   0.33310   0.00840   1.00000   0.02600
S1a   0.50160   0.40150   0.39480   1.00000   0.02900
S4a   0.08380   0.16580   0.02930   1.00000   0.02500
S1b   0.50890   0.09690   0.35820   1.00000   0.02700
S2   0.98710   0.49150   0.22280   1.00000   0.03000
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
Ag1b 0.05800 0.04000 0.04560 -0.02170 0.00900 -0.00170
Pb3 0.03340 0.04160 0.03010 -0.00210 0.00960 -0.00060
Bi1a 0.02250 0.02440 0.02460 -0.00110 0.00730 0.00060
Bi2b 0.02720 0.02130 0.02290 0.00000 0.00550 -0.00020
Sb2b 0.02720 0.02130 0.02290 0.00000 0.00550 -0.00020
Sb2a 0.01680 0.02580 0.02240 0.00230 0.00490 -0.00080
Bi2a 0.01680 0.02580 0.02240 0.00230 0.00490 -0.00080
S3 0.02500 0.02900 0.02300 -0.00100 0.00900 -0.00100
S4b 0.03000 0.02100 0.02800 0.00300 0.01000 0.00000
S1a 0.01500 0.03100 0.04100 -0.00600 0.00900 0.00300
S4a 0.02600 0.02000 0.02900 0.00700 0.01200 0.00600
S1b 0.01100 0.03400 0.03400 -0.00600 0.00300 0.00500
S2 0.03000 0.03000 0.03200 0.01000 0.01300 0.00100