#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100066.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_2100066
_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  9.7620
_cell_length_b  9.8610
_cell_length_c  10.4090
_cell_angle_alpha  107.14
_cell_angle_beta  111.35
_cell_angle_gamma  94.39
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Cu1 0.00000 0.00000 0.00000 Cu
  O1 -0.13110 0.08675 0.08450 O
  O2 0.14860 0.17900 0.09035 O
  C1 0.12890 0.29795 0.16475 C
  C2 0.01270 0.32485 0.20505 C
  C3 -0.11460 0.21765 0.16305 C
  C4 0.25950 0.42450 0.21585 C
  C5 -0.24240 0.25610 0.20895 C
  C6 -0.34890 0.30140 0.08945 C
  C7 -0.19045 0.37690 0.35440 C
  C8 -0.32565 0.12715 0.21775 C
  C9? -0.19070 0.23985 0.36880 C
  C10? -0.26225 0.40665 0.22935 C
  C11? -0.38375 0.14370 0.11125 C
  F1 0.29245 0.44030 0.12130 F
  F2 0.37825 0.41145 0.30445 F
  F3 0.24325 0.54135 0.27900 F
  O5 -0.33865 -0.10505 0.47530 O
  O6 -0.15190 -0.21375 0.33170 O
  O7 0.12565 -0.08555 0.22205 O
  C23 -0.36305 -0.25085 0.38305 C
  C24 -0.31045 -0.25050 0.26635 C
  C25 -0.09065 -0.19405 0.23345 C
  C26 0.05865 -0.11380 0.31375 C
  C27 0.28730 -0.05530 0.28500 C
  C28 0.35575 0.09170 0.39235 C