#------------------------------------------------------------------------------
#$Date: 2010-10-21 19:43:23 +0200 (Thu, 21 Oct 2010) $
#$Revision: 1653 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100070.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_2100070
_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  13.7451
_cell_length_b  16.3140
_cell_length_c  17.1382
_cell_angle_alpha  91.16
_cell_angle_beta  93.15
_cell_angle_gamma  100.34
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Cs1 -0.26605 -0.18035 0.24330 Cs
  O1 0.06055 -0.03350 0.20525 O
  O2 -0.21025 0.03615 0.22060 O
  O3 -0.45650 -0.05860 0.24670 O
  O4 -0.61875 -0.32830 0.21825 O
  O5 -0.33520 -0.40500 0.24830 O
  O6 -0.09685 -0.31005 0.26280 O
  O7 -0.11555 -0.03710 0.34840 O
  O8 -0.37795 -0.12235 0.38145 O
  O9 -0.36310 -0.29795 0.38045 O
  O10 -0.11335 -0.19750 0.38585 O
  C1 -0.03180 -0.13695 0.40705 C
  C2 -0.06690 -0.02050 0.10815 C
  C3 -0.04985 0.07290 0.12430 C
  C4 -0.13975 0.11235 0.11385 C
  C5 -0.14590 0.17050 0.05700 C
  C6 -0.22620 0.21065 0.05055 C
  C7 -0.30160 0.19275 0.10005 C
  C8 -0.30035 0.13280 0.15675 C
  C9 -0.38610 0.11375 0.20890 C
  C10 -0.47730 0.05915 0.16765 C
  C11 -0.53245 0.09015 0.10870 C
  C12 -0.61005 0.04165 0.06850 C
  C13 -0.63590 -0.04125 0.08620 C
  C14 -0.58745 -0.07405 0.14645 C
  C15 -0.61535 -0.16600 0.16640 C
  C16 -0.54965 -0.22065 0.13435 C
  C17 -0.48135 -0.19500 0.07875 C
  C18 -0.42320 -0.24655 0.04965 C
  C19 -0.43105 -0.32780 0.07600 C
  C20 -0.25975 -0.50925 0.18415 C
  C21 -0.49730 -0.35545 0.13055 C
  C22 -0.51205 -0.44515 0.15760 C
  C23 -0.42665 -0.48925 0.14540 C
  C24 -0.43345 -0.55185 0.08845 C
  C25 -0.35665 -0.59240 0.07970 C
  C26 -0.27075 -0.57230 0.12715 C
  C27 -0.16380 -0.48640 0.23310 C
  C28 -0.08365 -0.43415 0.18940 C
  C29 -0.03760 -0.46940 0.13105 C
  C30 0.03185 -0.42210 0.08815 C
  C31 0.05840 -0.33885 0.10250 C
  C32 0.01590 -0.30025 0.16110 C
  C33 0.04360 -0.20630 0.17740 C
  C34 -0.02265 -0.15640 0.13220 C
  C35 -0.09775 -0.19310 0.07605 C
  C36 -0.15290 -0.14280 0.03645 C
  C37 -0.13915 -0.05900 0.05270 C
  C38 -0.00955 -0.07020 0.14705 C
  C39 -0.21800 0.09445 0.16435 C
  C40 -0.50640 -0.02355 0.18665 C
  C41 -0.55625 -0.30225 0.15960 C
  C42 -0.33960 -0.46905 0.19280 C
  C43 -0.05485 -0.34855 0.20445 C
  C44 0.15510 -0.00065 0.17655 C
  C45 0.21110 0.06390 0.23265 C
  C46 0.17865 0.09390 0.29260 C
  C47 -0.71385 -0.37525 0.19360 C
  C48 -0.36395 -0.43375 0.32515 C
  C49 -0.74625 -0.43610 0.25700 C
  C50 -0.82935 -0.45435 0.28100 C
  C51 -0.42030 -0.37605 0.36245 C
  C52 -0.39710 -0.25580 0.44400 C
  C53 -0.34885 -0.16570 0.44645 C
  C54 -0.48945 -0.04440 0.32270 C
  C55 -0.04790 -0.31515 0.33955 C
  C56 -0.10360 -0.27970 0.39845 C
  C57 -0.05165 -0.05645 0.40825 C
  C58 -0.12830 0.04155 0.34810 C
  C59 -0.47630 -0.11855 0.37245 C
  C60 -0.18830 0.07120 0.29835 C
  C121 -0.18990 -0.38325 -0.11485 C
  Cl1 -0.07655 -0.31840 -0.09860 Cl
  Cl2 -0.22645 -0.43320 -0.03050 Cl
  Cl3 -0.27965 -0.33310 -0.15040 Cl
  B1 0.72585 0.29760 0.43480 B
  C123 0.73135 0.23450 0.50780 C
  C124 0.82085 0.28945 0.38075 C
  C125 0.74500 0.26035 0.58605 C
  C126 0.73835 0.39350 0.46825 C
  C127 0.54655 0.20540 0.39285 C
  C128 0.62010 0.27405 0.38335 C
  C129 0.81975 0.29475 0.30015 C
  C130 0.59795 0.32665 0.32355 C
  C131 0.91155 0.27885 0.41670 C
  C132 0.90295 0.29140 0.25815 C
  C133 0.82700 0.45050 0.47295 C
  C134 0.45730 0.18990 0.34885 C
  C135 0.99435 0.27575 0.37695 C
  C136 0.75685 0.12500 0.63030 C
  C137 0.74235 0.09550 0.55460 C
  C138 0.73075 0.14965 0.49500 C
  C139 0.75745 0.20640 0.64565 C
  C140 0.50870 0.31305 0.27880 C
  C141 0.83540 0.52990 0.50675 C
  C142 0.98990 0.28275 0.29605 C
  C143 0.65850 0.42285 0.49850 C
  C144 0.66690 0.50305 0.53210 C
  C145 0.43915 0.24305 0.29190 C
  C146 0.75835 0.55565 0.53595 C
_cod_database_code 2100070