#------------------------------------------------------------------------------
#$Date: 2009-11-18 15:56:34 +0100 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100027.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_2100027
_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  13.5810
_cell_length_b  13.1100
_cell_length_c  13.4830
_cell_angle_alpha  118.45
_cell_angle_beta  116.09
_cell_angle_gamma  80.22
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Ni1 0.00000 0.00000 0.00000 Ni
  P1 0.05500 0.18000 0.06905 P
  P3 0.04935 0.02125 0.18865 P
  B1 0.82005 0.31765 0.59245 B
  N1 -0.14520 0.20035 0.13295 N
  C1 -0.01675 0.21870 -0.05970 C
  C3 -0.01680 0.11640 -0.17980 C
  C5 0.03150 0.29785 0.19995 C
  C7 -0.08835 0.31050 0.18010 C
  C9 -0.00985 0.13520 0.29395 C
  C11 -0.12680 0.16755 0.23095 C
  C13 -0.44240 0.30000 0.03750 C
  C15 -0.32605 0.29805 0.12850 C
  C17 -0.26330 0.20345 0.06035 C
  C19 0.20130 0.19875 0.11660 C
  C20 0.26965 0.27340 0.23715 C
  C21 0.38125 0.28625 0.27025 C
  C22 0.42445 0.22440 0.18280 C
  C23 0.35610 0.14975 0.06230 C
  C24 0.24450 0.13690 0.02915 C
  C31 0.19685 0.04645 0.28185 C
  C32 0.26495 0.01035 0.21965 C
  C33 0.37830 0.02785 0.28630 C
  C34 0.42360 0.08135 0.41505 C
  C35 0.35545 0.11745 0.47720 C
  C36 0.24205 0.09995 0.41055 C
  C43 0.79305 0.18145 0.47580 C
  C44 0.69455 0.15510 0.37055 C
  C45 0.66705 0.04095 0.27730 C
  C46 0.73800 -0.04690 0.28935 C
  C47 0.83650 -0.02055 0.39465 C
  C48 0.86400 0.09360 0.48785 C
  C49 0.95355 0.34670 0.68690 C
  C50 1.03055 0.30965 0.63585 C
  C51 1.14215 0.33590 0.71290 C
  C52 1.17670 0.39920 0.84095 C
  C53 1.09970 0.43625 0.89200 C
  C54 0.98815 0.41005 0.81490 C
  C55 0.74575 0.33675 0.67260 C
  C56 0.70640 0.24280 0.66855 C
  C57 0.64665 0.26170 0.73680 C
  C58 0.62615 0.37445 0.80920 C
  C59 0.66550 0.46840 0.81320 C
  C60 0.72525 0.44955 0.74495 C
  C61 0.77565 0.41275 0.52880 C
  C62 0.66490 0.43700 0.48630 C
  C63 0.62775 0.50930 0.42900 C
  C64 0.70130 0.55740 0.41415 C
  C65 0.81200 0.53320 0.45675 C
  C66 0.84915 0.46090 0.51405 C