#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009215.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_9009215
_chemical_name 'Ice'
loop_
_publ_author_name
'Kamb B'
_journal_name_full "Science"
_journal_volume 150
_journal_year 1965
_journal_page_first 205
_journal_page_last 209
_publ_section_title
;
 Structure of ice VI
;
_chemical_formula_sum 'O H2'
_cell_length_a 6.27
_cell_length_b 6.27
_cell_length_c 5.79
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 227.622
_symmetry_space_group_name_H-M 'P 42/n m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '-y,x,-z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Wat1   0.00000   0.27600   0.38200
Wat2   0.00000   0.00000   0.00000
Wat3   0.50000   0.50000   0.50000