#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100029.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_2100029
_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  7.8770
_cell_length_b  8.7810
_cell_length_c  10.4440
_cell_angle_alpha  110.69
_cell_angle_beta  95.24
_cell_angle_gamma  103.48
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Nd1 0.02631 0.07117 0.20802 Nd
  O1 -0.25690 0.10265 0.29630 O
  O2 0.26000 0.03140 0.36035 O
  O3 -0.11420 -0.16095 0.28355 O
  O4 0.10400 0.31515 0.43905 O
  O9 -0.18150 -0.09400 -0.00765 O
  O10 -0.32530 -0.27080 -0.21555 O
  O11 -0.87305 -0.17835 0.09440 O
  O12 -0.93695 -0.28385 -0.13800 O
  C1 -0.32250 -0.20305 -0.08790 C
  C2 -0.48330 -0.23955 -0.02515 C
  H1 -0.44400 -0.23555 0.06565 H
  H2 -0.53755 -0.15000 -0.01335 H
  C3 -0.62330 -0.40515 -0.10330 C
  H3 -0.57355 -0.49770 -0.11120 H
  H4 -0.66345 -0.41315 -0.19605 H
  C4 -0.78130 -0.41830 -0.02800 C
  H5 -0.86645 -0.52945 -0.07600 H
  H6 -0.73965 -0.40655 0.06625 H
  C5 -0.87125 -0.28415 -0.02295 C
  Cl1 0.50355 0.22460 0.65385 Cl
  O17 0.37765 0.61500 0.56870 O
  O18 0.92940 0.37795 0.66540 O