#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100102.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_2100102
_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  9.7888
_cell_length_b  12.6542
_cell_length_c  14.9629
_cell_angle_alpha  88.49
_cell_angle_beta  74.93
_cell_angle_gamma  86.03
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Au1 0.49294 0.62998 0.24014 Au
  Fe1 0.01519 -0.52075 0.74470 Fe
  O1 0.08095 0.11935 0.49240 O
  P1 0.51529 0.76862 0.13911 P
  C1 0.00775 -0.51600 0.61240 C
  H1 -0.03545 -0.46075 0.58430 H
  C2 -0.06200 -0.60155 0.65755 C
  H2 -0.15405 -0.62005 0.66005 H
  C3 0.03740 -0.66100 0.68310 C
  H3 0.02585 -0.72880 0.71465 H
  C4 0.15515 -0.61230 0.65655 C
  H4 0.24135 -0.63865 0.66765 H
  C5 0.13420 -0.52500 0.61980 C
  H5 0.20200 -0.47940 0.59665 H
  C6 -0.11300 -0.40405 0.81590 C
  H6 -0.18355 -0.35910 0.79465 H
  C7 -0.13565 -0.50320 0.86935 C
  H7 -0.22395 -0.53855 0.88855 H
  C8 -0.00990 -0.53810 0.88135 C
  H8 0.00615 -0.60575 0.91075 H
  C9 0.10150 -0.47045 0.84375 C
  H9 0.20065 -0.47950 0.84555 H
  C10 0.03520 -0.38360 0.80365 C
  C11 0.10425 -0.29305 0.75550 C
  C12 0.16180 -0.21870 0.71810 C
  C13 0.23110 -0.12645 0.67255 C
  C14 0.36040 -0.10325 0.68645 C
  H10 0.40215 -0.14765 0.72360 H
  C15 0.42905 -0.01445 0.64565 C
  H11 0.51725 -0.00090 0.65375 H
  C16 0.36370 0.05295 0.59310 C
  C17 0.40730 0.15390 0.54300 C
  C18 0.52095 0.21305 0.53880 C
  H12 0.58725 0.19235 0.57140 H
  C19 0.53600 0.30480 0.48415 C
  H13 0.61320 0.34520 0.48030 H
  C20 0.43535 0.33665 0.43495 C
  C21 0.31750 0.27650 0.44205 C
  H14 0.24925 0.29710 0.41090 H
  C22 0.30580 0.18655 0.49585 C
  C23 0.18890 0.11220 0.51760 C
  C24 0.23325 0.02835 0.57835 C
  C25 0.16825 -0.06150 0.61530 C
  H15 0.08560 -0.07885 0.60185 H
  C26 0.45450 0.43045 0.37585 C
  C27 0.46940 0.50705 0.32615 C
  C28 0.40430 0.88615 0.18710 C
  C29 0.28780 0.87305 0.26060 C
  H16 0.26905 0.80575 0.28490 H
  C30 0.19970 0.95865 0.29840 C
  H17 0.12060 0.94915 0.34730 H
  C31 0.22995 1.05935 0.26265 C
  H18 0.17115 1.11775 0.28825 H
  C32 0.34635 1.07340 0.18985 C
  H19 0.36540 1.14080 0.16575 H
  C33 0.43585 0.98685 0.15150 C
  H20 0.51480 0.99595 0.10255 H
  C34 0.69455 0.81350 0.10285 C
  C35 0.75290 0.84620 0.16995 C
  H21 0.70075 0.84475 0.23145 H
  C36 0.88935 0.88140 0.14795 C
  H22 0.92635 0.90670 0.19385 H
  C37 0.96660 0.87825 0.05950 C
  H23 1.05745 0.89860 0.04370 H
  C38 0.91115 0.84605 -0.00820 C
  H24 0.96405 0.84670 -0.06700 H
  C39 0.77570 0.81220 0.01360 C
  H25 0.73895 0.78835 -0.03305 H
  C40 0.46440 0.73910 0.03420 C
  C41 0.36705 0.80060 0.00160 C
  H26 0.32315 0.86110 0.03300 H
  C42 0.33245 0.77120 -0.07865 C
  H27 0.26335 0.81030 -0.09875 H
  C43 0.39875 0.68320 -0.12535 C
  H28 0.37470 0.66410 -0.17785 H
  C44 0.49795 0.62345 -0.09585 C
  H29 0.54460 0.56595 -0.12965 H
  C45 0.52955 0.64950 -0.01515 C
  H30 0.59530 0.60665 0.00645 H