data_global
_chemical_name_mineral 'Krupkaite'
loop_
_publ_author_name
'Mumme W G'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 300
_journal_page_last 308
_publ_section_title
;
 The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant
 Creek, Northern Territory, Australia
;
_database_code_amcsd 456
_chemical_formula_sum 'Bi3 Pb Cu S6'
_cell_length_a 4.003
_cell_length_b 11.2
_cell_length_c 11.56
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 518.276
_exptl_crystal_density_diffrn  6.985
_symmetry_space_group_name_H-M 'P m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,z'
  '-x,-y,1/2+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   0.0  0.0629  0.9851  1.0  0.02204
Bi2   0.0  0.2882  0.6563  1.0  0.02254
Bi3   0.5  0.5777  0.5217  1.0  0.02508
Pb   0.5  0.7503  0.8305  1.0  0.02951
Cu1   0.0  0.5465  0.765  0.2  0.05991
Cu2   0.5  0.0373  0.7297  0.8  0.04192
S1   0.0  0.9463  0.7853  1.0  0.03217
S2   0.5  0.1231  0.5491  1.0  0.02026
S3   0.5  0.1919  0.8725  1.0  0.02343
S4   0.5  0.4513  0.7142  1.0  0.01988
S5   0.0  0.6972  0.6131  1.0  0.01368
S6   0.0  0.61  0.9594  1.0  0.04901