#------------------------------------------------------------------------------
#$Date: 2009-11-18 15:56:34 +0100 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100116.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_2100116
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  359
_journal_page_last  359
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Richard E. Marsh'
_publ_section_title
;
Space group P1: an update
;
_chemical_formula_sum            'gi n no t ve'
_[local]_cod_chemical_formula_sum_orig 'not given'
_space_group_crystal_system  monoclinic
_cell_length_a  14.9350
_cell_length_b  6.6180
_cell_length_c  25.3020
_cell_angle_alpha  90
_cell_angle_beta  100.40
_cell_angle_gamma  90
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  S 0.62413 0.57140 0.27582 S
  O1 0.62950 0.34875 0.26728 O
  C1 0.71750 0.64050 0.32612 C
  C2 0.75563 0.83025 0.32928 C
  C3 0.83122 0.87800 0.36675 C
  C4 0.87520 0.73575 0.40123 C
  C5 0.83740 0.54350 0.39945 C
  C6 0.76165 0.49750 0.36135 C
  C7 0.95788 0.78650 0.44172 C
  C8 0.54100 0.60475 0.31683 C
  C9 0.51587 0.81525 0.33085 C
  O2 0.39617 0.33235 0.38853 O
  C10 0.45840 0.84475 0.37132 C
  C11 0.38030 0.68750 0.36327 C
  C12 0.42123 0.47425 0.36530 C
  O3 0.55420 0.95725 0.31008 O
  C13 0.49457 0.45050 0.33255 C
  C14 0.51835 0.83050 0.42535 C
  C15 0.46643 0.76525 0.46858 C
  C16 0.38052 0.71750 0.46090 C
  C17 0.31988 0.72950 0.40637 C
  C18 0.33777 0.63925 0.50555 C
  C19 0.29195 0.43900 0.48708 C
  C20 0.22300 0.46975 0.43687 C
  C21 0.23223 0.61050 0.39783 C
  C22 0.14507 0.34450 0.43065 C
  C23 0.07593 0.36125 0.38665 C
  C24 0.08480 0.50925 0.35118 C
  C25 0.16055 0.64550 0.35447 C
  C26 0.14620 0.80500 0.31005 C
  C27 0.21178 0.99750 0.31980 C
  C28 0.16060 0.71100 0.25790 C
  C29 0.05167 0.89425 0.30332 C