data_global
_amcsd_formula_title 'Cu4Bi4S9'
loop_
_publ_author_name
'Bente K'
'Kupcik V'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 40 
_journal_year 1984
_journal_page_first 1985
_journal_page_last 1986
_publ_section_title
;
 Redetermination and refinement of the structure of
 tetrabismuth tetracopper enneasulphide Cu4Bi4S9
;
_database_code_amcsd 0018395
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu4 Bi3.92 S9'
_cell_length_a 31.68
_cell_length_b 11.659
_cell_length_c 3.972
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1467.087
_exptl_crystal_density_diffrn      6.166
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
Cul   0.13530   0.38330   0.75000   1.00000   0.01684
Cu2   0.19120   0.33600   0.25000   1.00000   0.02698
Cu3   0.30480   0.42450   0.25000   1.00000   0.03141
Cu4   0.48080   0.36340   0.25000   0.50000   0.04053
Cu5   0.48340   0.41360   0.25000   0.50000   0.01013
Bil   0.02780   0.36700   0.75000   0.98000   0.01545
Bi2   0.09030   0.09870   0.25000   0.98000   0.01786
Bi3   0.27860   0.13850   0.25000   0.98000   0.01520
Bi4   0.39080   0.23240   0.75000   0.98000   0.01381
S1   0.02060   0.13130   0.75000   1.00000   0.01140
S2   0.09870   0.32440   0.25000   1.00000   0.01140
S3   0.15420   0.09310   0.75000   1.00000   0.00887
S4   0.19220   0.24100   0.75000   1.00000   0.01013
S5   0.23570   0.48520   0.25000   1.00000   0.01013
S6   0.31500   0.31690   0.75000   1.00000   0.01013
S7   0.35700   0.07730   0.25000   1.00000   0.00760
S8   0.41130   0.38950   0.25000   1.00000   0.01013
S9   0.47000   0.12020   0.25000   1.00000   0.01140