data_global
_chemical_name_mineral 'Lillianite'
loop_
_publ_author_name
'Takagi J'
'Takeuchi Y'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 28 
_journal_year 1972
_journal_page_first 649
_journal_page_last 651
_publ_section_title
;
 The crystal structure of lillianite
;
_database_code_amcsd 0018399
_chemical_compound_source 'Tsubakihara mine, Gifu Prefecture, Japan'
_chemical_formula_sum 'Pb3 Bi2 S6'
_cell_length_a 13.5350
_cell_length_b 20.451
_cell_length_c 4.104
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1136.005
_exptl_crystal_density_diffrn      7.203
_symmetry_space_group_name_H-M 'B b m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2+y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-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
PbM1   0.08960   0.13380   0.50000   0.50000   0.02001
BiM1   0.08960   0.13380   0.50000   0.50000   0.02001
PbM2   0.36350   0.04950   0.50000   0.50000   0.01507
BiM2   0.36350   0.04950   0.50000   0.50000   0.01507
PbM3   0.32390   0.25000   0.00000   1.00000   0.03825
S1   0.23860   0.09560   0.00000   1.00000   0.02558
S2   0.00000   0.00000   0.50000   1.00000   0.02736
S3   0.18220   0.25000   0.50000   1.00000   0.02052
S4   0.45610   0.16300   0.50000   1.00000   0.01798