data_image0
_chemical_formula_structural       HOH
_chemical_formula_sum              "H2 O1"
_cell_length_a       5.0
_cell_length_b       5.0
_cell_length_c       5.0
_cell_angle_alpha    90
_cell_angle_beta     90
_cell_angle_gamma    90

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  H1       1.0  0.57589  0.38395  0.32649  1.0000
  O1       1.0  0.56043  0.42448  0.36966  1.0000
  H2       1.0  0.35359  0.37510  0.42040  1.0000

