#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100051.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_2100051
_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  8.1190
_cell_length_b  9.0640
_cell_length_c  9.6290
_cell_angle_alpha  100.43
_cell_angle_beta  101.67
_cell_angle_gamma  96.33
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  S 0.97790 0.65685 0.75705 S
  O1 0.72700 0.84450 0.50300 O
  O2 0.38400 1.02100 0.14000 O
  N1 0.72950 0.55950 0.47800 N
  N2 0.79650 0.44300 0.53400 N
  N3 0.97050 0.35700 0.70700 N
  C1 0.60950 0.80600 0.37600 C
  C2 0.54750 0.65350 0.30550 C
  C3 0.42500 0.63150 0.17400 C
  C4 0.36650 0.74600 0.11450 C
  C5 0.43150 0.89550 0.18650 C
  C6 0.55150 0.92300 0.31700 C
  C7 0.24950 1.00300 0.01800 C
  C8 0.61050 0.52400 0.36100 C
  C9 0.53900 0.36200 0.28150 C
  C10 0.91450 0.47750 0.66350 C
  C11 1.09000 0.37000 0.84550 C
  C12 0.90700 0.19950 0.62450 C
  H1 0.76545 0.76390 0.55285 H
  H2 0.38385 0.52640 0.12945 H
  H3 0.28485 0.72345 0.02420 H
  H4 0.59285 1.02480 0.36670 H
  H5 0.23115 1.09945 -0.00380 H
  H6 0.14950 0.95235 0.03595 H
  H7 0.27990 0.94180 -0.06275 H
  H8 0.59435 0.29370 0.33315 H
  H9 0.41980 0.34480 0.27725 H
  H10 0.55800 0.34585 0.18560 H
  H11 0.76240 0.34480 0.48400 H
  H12 1.12315 0.47520 0.89105 H
  H13 1.18800 0.32590 0.82970 H
  H14 1.03570 0.31790 0.90670 H
  H15 0.87110 0.19960 0.53120 H
  H16 0.97385 0.13240 0.62685 H
  H17 0.81855 0.16530 0.65390 H
_cod_database_code 2100051