data_global
_chemical_name_mineral 'Lillianite'
loop_
_publ_author_name
'Olsen L A'
'Balic Zunic T'
'Makovicky E'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 47 
_journal_year 2008
_journal_page_first 6756
_journal_page_last 6762
_publ_section_title
;
 High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced,
 reversible phase transition with migration of chemical bonds
 Note: P = 3.73 GPa
 Note: occupancies not refined
;
_database_code_amcsd 0018403
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb3 Bi2 S6'
_cell_length_a 13.216
_cell_length_b 20.163
_cell_length_c 4.03
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1073.891
_exptl_crystal_density_diffrn      7.620
_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   0.08852   0.13359   0.50000   0.50000   0.01600
BiM1   0.08852   0.13359   0.50000   0.50000   0.01600
PbM2   0.36091   0.04793   0.50000   0.50000   0.01630
BiM2   0.36091   0.04793   0.50000   0.50000   0.01630
PbM3   0.32920   0.25000   0.00000   1.00000   0.02490
S1   0.23410   0.09810   0.00000   1.00000   0.02400
S2   0.00000   0.00000   0.50000   1.00000   0.03000
S3   0.17870   0.25000   0.50000   1.00000   0.01700
S4   0.45180   0.16840   0.50000   1.00000   0.01800