#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002503.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9002503
_chemical_name 'Symesite'
loop_
_publ_author_name
'Welch M D'
'Cooper M A'
'Hawthorne F C'
'Criddle A J'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1526
_journal_page_last 1533
_publ_section_title
;
 Symesite, Pb10(SO4)O7Cl4(H2O), a new PbO-related sheet mineral: Description and
 crystal structure
;
_chemical_formula_sum 'S Pb10 Cl4 O12'
_cell_length_a 19.727
_cell_length_b 8.796
_cell_length_c 13.631
_cell_angle_alpha 82.21
_cell_angle_beta 78.08
_cell_angle_gamma 100.04
_cell_volume 2242.377
_symmetry_space_group_name_H-M 'B -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,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_Uiso_or_equiv
S   0.00780   0.25440   0.18660 ?
Pb1   0.82782   0.01000   0.15160 ?
Pb2   0.20839   0.54890   0.14680 ?
Pb3   0.91743   0.65920   0.15890 ?
Pb4   0.74960   0.36100   0.15820 ?
Pb5   0.28295   0.18860   0.15910 ?
Pb6   0.66701   0.72220   0.12850 ?
Pb7   0.37766   0.84280   0.14430 ?
Pb8   0.11177   0.88640   0.15230 ?
Pb9   0.46460   0.44030   0.14490 ?
Pb10   0.56724   0.11620   0.14390 ?
Cl1   0.44860   0.19970   0.02520 ?
Cl2   0.81240   0.72750   0.02600 ?
Cl3   0.63220   0.42490   0.01210 ?
Cl4   0.27390   0.90800   0.01950 ?
O1   0.03210   0.10600   0.20460   0.10360
O2   0.01470   0.28920   0.07560   0.10360
O3   0.05980   0.37210   0.21500   0.10360
O4  -0.06910   0.23000   0.22960   0.10360
O5   0.68210   0.52290   0.23330   0.01640
O6   0.14130   0.68650   0.24500   0.01960
O7   0.50360   0.26100   0.23510   0.01730
O8   0.21570   0.34680   0.26400   0.01580
O9   0.77930   0.14820   0.27250   0.01490
O10   0.63740   0.17670   0.24980   0.01500
O11   0.32560   0.99300   0.24550   0.01450
O12   0.09470   0.63200   0.00980   0.06430