#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100069.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_2100069
_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  8.7780
_cell_length_b  9.4670
_cell_length_c  11.3620
_cell_angle_alpha  71.51
_cell_angle_beta  74.78
_cell_angle_gamma  74.78
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  W1 0.48700 0.54645 0.60680 W
  S1 0.68755 0.58240 0.42755 S
  S2 0.62559 0.24710 0.36850 S
  S3 0.42615 0.57755 0.22365 S
  Fe1 0.00000 0.00000 0.00000 Fe
  O1 0.04830 -0.07755 0.18470 O
  O2 -0.24065 -0.03735 0.08790 O
  O3 -0.04420 0.21200 0.01300 O
  N1 -0.04640 -0.13960 0.39945 N
  C1 -0.04605 -0.06030 0.28215 C
  C2 -0.16360 -0.10765 0.48805 C
  C3 0.06255 -0.26600 0.42770 C
  N2 -0.48735 0.05240 0.14600 N
  C4 -0.35040 0.05395 0.04935 C
  C5 -0.52765 -0.05645 0.26665 C
  C6 -0.39510 0.20060 0.11965 C
  N3 -0.09180 0.44490 -0.09130 N
  C7 -0.01335 0.31685 -0.07850 C
  C8 -0.23140 0.46285 0.00945 C
  C9 -0.05555 0.56600 -0.20440 C
_cod_database_code 2100069