#------------------------------------------------------------------------------
#$Date: 2009-11-18 15:56:34 +0100 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100100.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_2100100
_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            'gi n no t ve'
_[local]_cod_chemical_formula_sum_orig 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  8.0380
_cell_length_b  10.3910
_cell_length_c  12.2990
_cell_angle_alpha  100.51
_cell_angle_beta  107.29
_cell_angle_gamma  104.90
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  C1 0.24105 0.19160 0.74260 C
  C2 0.35270 0.09360 0.73465 C
  H1 0.26890 0.00280 0.68590 H
  H2 0.40850 0.08560 0.81315 H
  C3 0.50420 0.13640 0.68570 C
  H3 0.56455 0.06795 0.68255 H
  H4 0.59455 0.22325 0.73660 H
  C4 0.42085 0.15065 0.56160 C
  H5 0.33330 0.06295 0.51070 H
  H6 0.51645 0.17615 0.53020 H
  C5 0.32335 0.26075 0.56215 C
  C6 0.17440 0.22280 0.61995 C
  H7 0.08375 0.13725 0.56660 H
  C7 0.07375 0.33055 0.61565 C
  H8 0.16405 0.42105 0.65510 H
  C8 -0.02415 0.32550 0.48705 C
  C9 0.06715 0.30000 0.40330 C
  C10 0.22835 0.26420 0.43585 C
  C11 0.30470 0.24075 0.34950 C
  H9 0.41575 0.21720 0.36905 H
  C12 0.22410 0.25000 0.23505 C
  C13 0.06305 0.28675 0.20345 C
  C14 -0.01105 0.31085 0.28905 C
  H10 -0.12035 0.33665 0.27015 H
  C15 -0.02440 0.29250 0.07740 C
  H11 0.07210 0.32155 0.04735 H
  C16 -0.13065 0.39520 0.07040 C
  H12 -0.18375 0.39470 -0.01075 H
  H13 -0.22710 0.36825 0.10090 H
  H14 -0.04840 0.48670 0.11665 H
  C17 -0.15320 0.14750 -0.00090 C
  H15 -0.08545 0.08395 0.00130 H
  H16 -0.25070 0.11720 0.02760 H
  H17 -0.20425 0.15065 -0.08085 H
  C18 0.45840 0.19490 0.17640 C
  H18 0.49155 0.18100 0.10740 H
  H19 0.55530 0.27000 0.23905 H
  H20 0.44065 0.11175 0.20145 H
  C19 0.47290 0.40640 0.62435 C
  H21 0.55765 0.42105 0.58325 H
  H22 0.41505 0.47655 0.62310 H
  H23 0.53870 0.41150 0.70505 H
  C20 0.35430 0.32385 0.84685 C
  H24 0.39125 0.29865 0.91945 H
  H25 0.46185 0.37300 0.83380 H
  H26 0.28015 0.38205 0.85215 H
  C21 0.07370 0.11280 0.76805 C
  H27 0.00280 0.02870 0.70545 H
  H28 0.11515 0.09105 0.84185 H
  H29 -0.00170 0.17010 0.77300 H
  O1 -0.05750 0.31155 0.67090 O
  H30 -0.05905 0.34305 0.70355 H
  O2 -0.17455 0.34175 0.45985 O
  O3 0.29425 0.22685 0.14875 O