data_global
_chemical_name_mineral 'Caracolite'
loop_
_publ_author_name
'Schneider W'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1967 
_journal_year 1967
_journal_page_first 284
_journal_page_last 289
_publ_section_title
;
 Caracolit, das Na3Pb2(SO4)3Cl mit apatitstruktur
;
_database_code_amcsd 0014733
_chemical_formula_sum 'Na3 Pb2 S3 O12 Cl'
_cell_length_a 9.81
_cell_length_b 9.81
_cell_length_c 7.14
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 595.068
_exptl_crystal_density_diffrn      4.504
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+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
Na1   0.33333   0.66667  -0.00900   1.00000   0.03673
Na2   0.00970   0.25530   0.25000   0.33333   0.02533
Pb2   0.00970   0.25530   0.25000   0.66667   0.02533
S   0.41200   0.38100   0.25000   1.00000   0.01140
O1   0.35600   0.27100   0.42900   1.00000   0.04433
O2   0.57900   0.46000   0.25000   1.00000   0.01900
O3   0.37500   0.49500   0.25000   1.00000   0.04433
Cl   0.00000   0.00000   0.00000   1.00000   0.06079