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#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2103388.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2103388
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C6 H6 O2.04 S0.02'
_[local]_cod_chemical_formula_sum_orig 'C6 H6 O2.04 S.02'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_length_a                   38.26
_cell_length_b                   38.26
_cell_length_c                   5.605
_[local]_cod_data_source_file    bk0117.cif
_[local]_cod_data_source_block   BOSVEK
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 0.0652 0.0735 0.4932
O2 0.1570 0.1922 -0.1614
O3 0.2810 0.2382 0.1604
O4 0.2244 0.3164 0.7411
O5 0.1498 0.2602 0.8816
O6 0.0338 0.2298 0.1962
C1 0.0888 0.1024 0.3302
C2 0.1050 0.0940 0.1292
C3 0.1274 0.1244 -0.0325
C4 0.1341 0.1632 0.0050
C5 0.1180 0.1716 0.2054
C6 0.0950 0.1412 0.3665
C7 0.2672 0.2575 0.3041
C8 0.2894 0.2788 0.4993
C9 0.2761 0.2986 0.6508
C10 0.2396 0.2968 0.5940
C11 0.2170 0.2768 0.3978
C12 0.2313 0.2571 0.2491
C13 0.1208 0.2540 0.7106
C14 0.1269 0.2820 0.5380
C15 0.0974 0.2733 0.3668
C16 0.0620 0.2370 0.3736
C17 0.0546 0.2094 0.5524
C18 0.0836 0.2172 0.7258
_cod_database_code 2103388