#------------------------------------------------------------------------------
#$Date: 2010-10-21 19:43:23 +0200 (Thu, 21 Oct 2010) $
#$Revision: 1653 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100047.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_2100047
_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
;
_[local]_cod_chemical_formula_sum_orig 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  10.2709
_cell_length_b  11.1981
_cell_length_c  14.2260
_cell_angle_alpha  95.84
_cell_angle_beta  101.31
_cell_angle_gamma  93.95
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Pt1 0.00000 0.00000 0.00000 Pt
  Fe1 0.84432 1.27222 0.43650 Fe
  P1 0.11515 -0.13780 0.08485 P
  S1 0.58185 0.72140 0.31185 S
  S2 0.33955 0.43310 0.10870 S
  C1 0.64200 1.26280 0.41365 C
  H1 0.58445 1.19555 0.38095 H
  C2 0.69330 1.28185 0.50850 C
  H2 0.67860 1.23125 0.55460 H
  C3 0.77610 1.39375 0.52750 C
  H3 0.82020 1.43390 0.58890 H
  C4 0.77135 1.43735 0.43775 C
  H4 0.82085 1.50745 0.42680 H
  C5 0.69040 1.35820 0.36925 C
  H5 0.66990 1.36600 0.30245 H
  C6 0.95180 1.13585 0.48625 C
  H6 0.93710 1.08930 0.53375 H
  C7 1.02995 1.24445 0.49910 C
  H7 1.07515 1.28295 0.55855 H
  C8 1.03195 1.28675 0.41235 C
  H8 1.08055 1.35505 0.40300 H
  C9 0.94750 1.20900 0.33995 C
  H9 0.92650 1.21885 0.27585 H
  C10 0.90030 1.11140 0.38590 C
  C11 0.81360 1.00885 0.33640 C
  C12 0.74355 0.92125 0.29785 C
  C13 0.65970 0.81635 0.25235 C
  C14 0.62780 0.77915 0.15555 C
  H10 0.65840 0.82075 0.10975 H
  C15 0.54140 0.67085 0.13130 C
  H11 0.51155 0.63310 0.06910 H
  C16 0.50855 0.62850 0.21140 C
  C17 0.42015 0.52005 0.21570 C
  C18 0.39275 0.47455 0.29305 C
  H12 0.42520 0.51125 0.35540 H
  C19 0.30850 0.36580 0.27125 C
  H13 0.28410 0.32240 0.31815 H
  C20 0.26685 0.33090 0.17710 C
  C21 0.18440 0.22770 0.12365 C
  C22 0.11505 0.14105 0.07690 C
  C45 0.24900 -0.08245 0.18720 C
  H27 0.29955 -0.14915 0.20380 H
  H28 0.30745 -0.02430 0.16640 H
  C46 0.21260 -0.02405 0.27905 C
  H29 0.15510 0.03895 0.26370 H
  H30 0.16455 -0.08330 0.30735 H
  C47 0.34075 0.02895 0.35170 C
  H31 0.39925 -0.02755 0.35720 H
  H32 0.37950 0.09260 0.32915 H
  C48 0.32350 0.07185 0.44635 C
  H33 0.24235 0.10490 0.44120 H
  H34 0.39615 0.12985 0.47660 H
  H35 0.32100 0.00795 0.48165 H
  C49 0.00640 -0.24315 0.13555 C
  H36 -0.03835 -0.19765 0.17515 H
  H37 -0.05780 -0.28340 0.08445 H
  C50 0.06920 -0.33890 0.19200 C
  H38 0.10670 -0.30865 0.24675 H
  H39 0.12575 -0.36790 0.16530 H
  C51 -0.02325 -0.43965 0.20625 C
  H40 -0.06490 -0.43910 0.16635 H
  H41 -0.00495 -0.50885 0.21595 H
  C52 -0.05905 -0.43260 0.26600 C
  H42 -0.10190 -0.50015 0.27345 H
  H43 -0.08760 -0.36570 0.25730 H
  H44 -0.01535 -0.42715 0.30440 H
  C53 0.19645 -0.22600 0.00375 C
  H45 0.24510 -0.28420 0.03835 H
  H46 0.13000 -0.26965 -0.04795 H
  C54 0.29320 -0.14750 -0.03930 C
  H47 0.24755 -0.08555 -0.06630 H
  H48 0.36315 -0.11165 0.01045 H
  C55 0.35370 -0.21340 -0.11535 C
  H49 0.38905 -0.28120 -0.09205 H
  H50 0.28725 -0.23850 -0.16950 H
  C56 0.46310 -0.13340 -0.14400 C
  H51 0.42550 -0.06970 -0.17320 H
  H52 0.50590 -0.17770 -0.18795 H
  H53 0.52570 -0.10330 -0.08860 H
_cod_database_code 2100047