data_global
_chemical_name_mineral 'Hammarite'
loop_
_publ_author_name
'Horiuchi H'
'Wuensch B J'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 14 
_journal_year 1976
_journal_page_first 536
_journal_page_last 539
_publ_section_title
;
 The ordering scheme for metal atoms in the crystal structure
 of hammarite, Cu2Pb2Bi4S9
;
_database_code_amcsd 0005129
_chemical_formula_sum 'Bi4 Pb2 Cu2 S9'
_cell_length_a 33.7726
_cell_length_b 11.5857
_cell_length_c 4.01
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1569.030
_exptl_crystal_density_diffrn      7.053
_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_U_iso_or_equiv
Bi1   0.06330   0.01940   0.25000   0.02660
Bi2   0.39350   0.02340   0.25000   0.01900
Bi3   0.72410   0.01820   0.25000   0.02280
Bi4   0.32020   0.34650   0.25000   0.02660
Pb1   0.66620   0.32260   0.25000   0.02153
Pb2   0.99700   0.33070   0.25000   0.03293
Cu1   0.56620   0.23900   0.25000   0.01140
Cu2   0.90270   0.23500   0.25000   0.00633
S1   0.21300   0.04700   0.25000   0.01646
S2   0.54600   0.04400   0.25000   0.01646
S3   0.87600   0.05000   0.25000   0.01646
S4   0.18900   0.36800   0.25000   0.01646
S5   0.51900   0.37200   0.25000   0.01646
S6   0.84600   0.36600   0.25000   0.01646
S7   0.10000   0.22800   0.25000   0.01646
S8   0.44000   0.22500   0.25000   0.01646
S9   0.76400   0.22000   0.25000   0.01646