#------------------------------------------------------------------------------
#$Date: 2017-08-03 01:37:41 +0200 (jue 03 de ago de 2017) $
#$Revision: 199473 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/33/2103382.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_2103382
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 The space groups of point group C₃: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C32 H42 N2 P2 Si2'
_chemical_formula_sum            'C32 H42 N2 P2 Si2'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 64'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   15.914
_cell_length_b                   15.914
_cell_length_c                   11.658
_cell_volume                     2556.898
_cod_data_source_file            bk0117.cif
_cod_data_source_block           ZARSEQ
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_database_code               2103382
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P 0.06948 0.40943 0.92260
Si 0.1544 0.4061 0.6932
N 0.1394 0.4440 0.8198
C1 -0.0226 0.4442 0.9180
C3 0.1348 0.4638 1.0540
C4 0.2352 0.5208 1.0524
C5 0.2850 0.5646 1.1521
C6 0.2368 0.5530 1.2530
C7 0.1367 0.4955 1.2562
C8 0.0856 0.4509 1.1567
C9 0.0050 0.2805 0.9524
C10 -0.0928 0.2216 0.9461
C11 -0.1355 0.1226 0.9676
C12 -0.0828 0.0826 0.9984
C13 0.0138 0.1400 1.0078
C14 0.0571 0.2384 0.9858
C27 0.2730 0.4051 0.7139
C28? 0.2664 0.3994 0.6762
C29 0.0772 0.2732 0.6678
C30? 0.0457 0.2932 0.6481
C31 0.1808 0.4874 0.5750
C32? 0.1621 0.4976 0.5896
