#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/01/1100109.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_1100109
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M   'P 21/N             '
_symmetry_space_group_name_Hall   '-P 2yn'
loop_
  _symmetry_equiv_pos_as_xyz
    X,Y,Z
    1/2-X,1/2+Y,1/2-Z
_cell_length_a      8.213380
_cell_length_b      8.268060
_cell_length_c      8.328060
_cell_angle_alpha   90.000003
_cell_angle_beta    90.144305
_cell_angle_gamma   90.000003
loop_
  _atom_site_label
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_occupancy
  _atom_site_type_symbol
    B1     -0.1737 0.9988 0.3877  0.034  1.000 B
    B2     -0.0076 1.1286 0.3355  0.034  1.000 B
    B3     0.1784 1.0295 0.4016  0.034  1.000 B
    B4     0.1281 0.8389 0.4768  0.034  1.000 B
    B5     -0.0932 0.8102 0.4778  0.034  1.000 B
    B6     0.0127 0.9140 0.3142  0.034  1.000 B
    O1     -0.3247 1.0008 0.2934  0.043  1.000 O
    O2     -0.0178 1.2442 0.2089  0.043  1.000 O
    O3     0.3249 1.0450 0.3081  0.043  1.000 O
    O4     0.2408 0.7034 0.4692  0.043  1.000 O
    O5     -0.1670 0.6587 0.4574  0.043  1.000 O
    O6     0.0293 0.8421 0.1558  0.043  1.000 O
    H1     -0.3952 0.9101 0.3196  0.070  1.000 H
    H2     0.1402 1.2423 0.1859  0.070  1.000 H
    H3     0.3593 1.1399 0.4385  0.070  1.000 H
    H4     0.2001 0.5895 0.3575  0.070  1.000 H
    H5     -0.3013 0.6140 0.5720  0.070  1.000 H
    H6     -0.0477 0.8929 0.0882  0.070  1.000 H
_cod_database_code 1100109