data_global
_chemical_name_mineral 'Cuprobismutite'
loop_
_publ_author_name
'Topa D'
'Makovicky E'
'Balic-Zunic T'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 1481
_journal_page_last 1501
_publ_section_title
;
 Crystal structures and crystal chemistry of members of the cuprobismutite
 homologous series of sulfosalts
;
_database_code_amcsd 0005923
_chemical_compound_source 'Felbertal Austria'
_chemical_formula_sum 'Bi6.292 Ag.708 Cu4 S12'
_cell_length_a 17.590
_cell_length_b 3.9219
_cell_length_c 15.177
_cell_angle_alpha 90
_cell_angle_beta 100.710
_cell_angle_gamma 90
_cell_volume 1028.766
_exptl_crystal_density_diffrn      6.554
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi1   0.00000   0.50000   0.00000   0.29200   0.03040
Ag1   0.00000   0.50000   0.00000   0.70800   0.03040
Bi2   0.33456   0.50000   0.09272   1.00000   0.02930
Bi3   0.49537   0.00000   0.28002   1.00000   0.02930
Bi4   0.24520   0.50000   0.37071   1.00000   0.02700
Cu1   0.15528   0.00000   0.14082   1.00000   0.05620
Cu2   0.08802   0.00000   0.47966   1.00000   0.03990
S1   0.16381   0.50000   0.05920   1.00000   0.02940
S2   0.48973   0.50000   0.12471   1.00000   0.02750
S3   0.34252   0.00000   0.22009   1.00000   0.02550
S4   0.15341   0.00000   0.28959   1.00000   0.02530
S5   0.46745   0.50000   0.38695   1.00000   0.02770
S6   0.16142   0.50000   0.49378   1.00000   0.02650
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
Bi1 0.02800 0.02950 0.03410 0.00000 0.00680 0.00000
Ag1 0.02800 0.02950 0.03420 0.00000 0.00680 0.00000
Bi2 0.03000 0.02190 0.03400 0.00000 0.00120 0.00000
Bi3 0.03110 0.02390 0.03210 0.00000 0.00380 0.00000
Bi4 0.02500 0.02480 0.03070 0.00000 0.00370 0.00000
Cu1 0.09290 0.04160 0.03600 0.00000 0.01660 0.00000
Cu2 0.03480 0.03650 0.04780 0.00000 0.00600 0.00000
S1 0.03530 0.02300 0.02870 0.00000 0.00270 0.00000
S2 0.02520 0.02670 0.03110 0.00000 0.00660 0.00000
S3 0.02150 0.02320 0.03150 0.00000 0.00460 0.00000
S4 0.02030 0.02320 0.03150 0.00000 0.00280 0.00000
S5 0.03090 0.02380 0.02940 0.00000 0.00820 0.00000
S6 0.02850 0.02060 0.02880 0.00000 0.00170 0.00000