data_global
_chemical_name_mineral 'Ice III'
loop_
_publ_author_name
'McFarlan R'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 4 
_journal_year 1936
_journal_page_first 253
_journal_page_last 259
_publ_section_title
;
 The Structure of Ice III
 _cod_database_code 1011024
;
_database_code_amcsd 0017931
_chemical_formula_sum 'O4 H7'
_cell_length_a 10.2
_cell_length_b 5.87
_cell_length_c 7.17
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 429.297
_exptl_crystal_density_diffrn      1.099
_symmetry_space_group_name_H-M 'I b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-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
O1   0.12600   0.21800   0.06250
H1   0.25000   0.25000   0.00000
H2   0.12600   0.00000   0.00000
H3   0.00000   0.21800   0.00000
H4   0.00000   0.50000   0.25000