data_image0
_chemical_formula_structural       HOHOPOH2C2HSHCH3
_chemical_formula_sum              "H9 O3 P1 C3 S1"
_cell_length_a       25.0804
_cell_length_b       25.0804
_cell_length_c       25.0804
_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_type_symbol
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  H   H1        1.0  0.60049  0.49637  0.39872  1.0000
  O   O1        1.0  0.57933  0.49066  0.43079  1.0000
  H   H2        1.0  0.59557  0.59966  0.49004  1.0000
  O   O2        1.0  0.57627  0.56695  0.49812  1.0000
  P   P1        1.0  0.54711  0.54428  0.44552  1.0000
  O   O3        1.0  0.54388  0.58307  0.40123  1.0000
  H   H3        1.0  0.51808  0.44456  0.50399  1.0000
  H   H4        1.0  0.51559  0.49728  0.55067  1.0000
  C   C1        1.0  0.49370  0.47835  0.51769  1.0000
  C   C2        1.0  0.48635  0.51820  0.47236  1.0000
  H   H5        1.0  0.46503  0.50015  0.43852  1.0000
  S   S1        1.0  0.45141  0.41066  0.59094  1.0000
  H   H6        1.0  0.46293  0.55296  0.48537  1.0000
  C   C3        1.0  0.44007  0.45835  0.53742  1.0000
  H   H7        1.0  0.41816  0.43890  0.50483  1.0000
  H   H8        1.0  0.41605  0.49177  0.55244  1.0000
  H   H9        1.0  0.39951  0.40034  0.60128  1.0000
