data_global
_chemical_name_mineral 'Ice VI'
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
;
_database_code_amcsd 0015417
_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
_exptl_crystal_density_diffrn      1.577
_symmetry_space_group_name_H-M 'P 42/n m c'
loop_
_space_group_symop_operation_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