#------------------------------------------------------------------------------
#$Date: 2011-09-17 22:27:16 +0200 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100063.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_2100063
_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
;
_[local]_cod_chemical_formula_sum_orig 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  11.0370
_cell_length_b  12.2150
_cell_length_c  12.6590
_cell_angle_alpha  73.70
_cell_angle_beta  70.09
_cell_angle_gamma  78.34
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Ti1 0.08055 -0.10160 0.43150 Ti
  O1 -0.03125 -0.07180 0.58895 O
  O2 0.09065 -0.24575 0.52880 O
  O3 0.00005 -0.12445 0.34245 O
  O4 0.24900 -0.10135 0.36220 O
  C1 -0.03060 -0.16605 0.69010 C
  C2 -0.00675 -0.27570 0.63750 C
  C3 -0.15595 -0.15260 0.79130 C
  C4 -0.16880 -0.06830 0.84755 C
  C5 -0.27450 -0.05295 0.94375 C
  C6 -0.37000 -0.12550 0.98400 C
  C7 -0.36095 -0.20935 0.92960 C
  C8 -0.25570 -0.22435 0.83195 C
  C9 0.08665 -0.16190 0.73065 C
  C10 0.19615 -0.11405 0.65520 C
  C11 0.30230 -0.12050 0.68710 C
  C12 0.30265 -0.17035 0.79970 C
  C13 0.19250 -0.21945 0.87665 C
  C14 0.08745 -0.21540 0.84135 C
  C15 0.05210 -0.38240 0.71060 C
  C16 -0.02350 -0.44650 0.81285 C
  C17 0.03150 -0.54180 0.87780 C
  C18 0.16400 -0.57560 0.84080 C
  C19 0.23950 -0.51395 0.73925 C
  C20 0.18455 -0.41825 0.67430 C
  C21 -0.11875 -0.30230 0.60545 C
  C22 -0.11485 -0.41130 0.58930 C
  C23 -0.20395 -0.43740 0.54850 C
  C24 -0.30230 -0.35285 0.52350 C
  C25 -0.30840 -0.24250 0.53835 C
  C26 -0.21875 -0.21850 0.57810 C
  C27 -0.01740 -0.20595 0.28645 C
  C28 0.10600 -0.26295 0.22815 C
  C29 -0.09300 -0.14180 0.20285 C
  C30 0.37920 -0.13715 0.30600 C
  C31 0.41700 -0.25515 0.35250 C
  C32 0.46300 -0.05500 0.30400 C
_cod_database_code 2100063