data_global
_chemical_name_mineral 'Krupkaite'
loop_
_publ_author_name
'Petricek V'
'Makovicky E'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 44 
_journal_year 2006
_journal_page_first 189
_journal_page_last 206
_publ_section_title
;
 Interpretation of selected structures of the bismuthinite - aikinite series as
 commensurately modulated structures
;
_database_code_amcsd 0006081
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu.5 Pb.5 Bi1.5 S3'
_cell_length_a 4.0145
_cell_length_b 11.2023
_cell_length_c 11.5604
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 519.890
_exptl_crystal_density_diffrn      6.963
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+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
Cu   0.25000   0.71140   0.72950   0.50000   0.04050
PbM2   0.25000   0.52013   0.33561   0.50000   0.03070
BiM2   0.25000   0.52013   0.33561   0.50000   0.03700
BiM1   0.25000   0.17885   0.51850   1.00000   0.03310
S1   0.25000  -0.05610   0.37870   1.00000   0.03060
S2   0.25000   0.63240   0.54650   1.00000   0.03060
S3   0.25000   0.30470   0.71600   1.00000   0.03170