#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100055.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_2100055
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  359
_journal_page_last  359
loop_
_publ_author_name
  'Richard E. Marsh'
_publ_section_title
;
Space group P1: an update
;
_chemical_formula_sum 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  11.6830
_cell_length_b  13.9270
_cell_length_c  9.0040
_cell_angle_alpha  102.10
_cell_angle_beta  110.74
_cell_angle_gamma  105.05
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  N1 0.50950 -0.18185 0.29150 N
  O1 0.64950 -0.05370 0.54300 O
  O2 0.39150 -0.28055 0.01400 O
  C1 0.63500 -0.11380 0.41300 C
  C2 0.74800 -0.11470 0.37150 C
  C3 0.75550 -0.08325 0.23550 C
  C4 0.66250 -0.04450 0.13800 C
  C5 0.67250 -0.01820 0.00500 C
  C6 0.77300 -0.02835 -0.04200 C
  C7 0.86350 -0.06115 0.04900 C
  C8 0.86050 -0.08855 0.19200 C
  C9 0.95550 -0.12025 0.28900 C
  C10 0.95200 -0.14765 0.42850 C
  C11 1.05000 -0.18065 0.52650 C
  C12 1.04250 -0.21005 0.65850 C
  C13 0.93900 -0.20675 0.70100 C
  C14 0.84400 -0.17505 0.61250 C
  C15 0.84650 -0.14395 0.47150 C
  C16 0.48600 -0.26125 0.14500 C
  C17 0.57050 -0.32495 0.16600 C
  C18 0.59000 -0.36455 0.29600 C
  C19 0.65950 -0.43340 0.31450 C
  C20 0.70750 -0.46165 0.20150 C
  C21 0.68850 -0.42350 0.06450 C
  C22 0.73450 -0.45470 -0.05450 C
  C23 0.71650 -0.41790 -0.18650 C
  C24 0.64950 -0.34770 -0.20400 C
  C25 0.60200 -0.31655 -0.09250 C
  C26 0.61850 -0.35420 0.04450 C
  C27 0.39400 -0.15835 0.29850 C
  C28 0.31050 -0.24205 0.33900 C
  C29 0.18200 -0.30760 0.22700 C
  C30 0.11250 -0.38265 0.27650 C
  C31 0.16850 -0.39145 0.43300 C
  C32 0.29400 -0.32580 0.54450 C
  C33 0.36400 -0.25235 0.49850 C
  C34 0.11400 -0.29990 0.05700 C
  H1 0.59020 -0.03750 0.16805 H
  H2 0.60560 0.01110 -0.05805 H
  H3 0.77465 -0.01055 -0.13945 H
  H4 0.93690 -0.06505 0.01600 H
  H5 1.03015 -0.12360 0.25535 H
  H6 1.12770 -0.18000 0.50180 H
  H7 1.11035 -0.23585 0.72320 H
  H8 0.93560 -0.23000 0.79555 H
  H9 0.77110 -0.17390 0.64695 H
  H10 0.55550 -0.34415 0.37895 H
  H11 0.67140 -0.46080 0.40790 H
  H12 0.75545 -0.51385 0.21670 H
  H13 0.78280 -0.50545 -0.04365 H
  H14 0.74960 -0.44155 -0.26845 H
  H15 0.64080 -0.31930 -0.29880 H
  H16 0.55585 -0.26560 -0.10700 H
  H17 0.34085 -0.15305 0.19065 H
  H18 0.42240 -0.08935 0.38100 H
  H19 0.02155 -0.43115 0.19865 H
  H20 0.11835 -0.44475 0.46215 H
  H21 0.33145 -0.33255 0.65680 H
  H22 0.45380 -0.20470 0.57855 H
  H23 0.13870 -0.23715 0.05450 H
  H24 0.03210 -0.31805 0.01650 H
  H25 0.12845 -0.33395 -0.01680 H