data_image0
_chemical_formula_structural       HOHOPOH2C2HSHCH3
_chemical_formula_sum              "H9 O3 P1 C3 S1"
_cell_length_a       15.0804
_cell_length_b       15.0804
_cell_length_c       15.0804
_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  0.66713  0.49397  0.33156  1.0000
  O   O1        1.0  0.63193  0.48447  0.38490  1.0000
  H   H2        1.0  0.65894  0.66575  0.48343  1.0000
  O   O2        1.0  0.62685  0.61135  0.49687  1.0000
  P   P1        1.0  0.57835  0.57364  0.40939  1.0000
  O   O3        1.0  0.57297  0.63815  0.33573  1.0000
  H   H3        1.0  0.53006  0.40781  0.50663  1.0000
  H   H4        1.0  0.52593  0.49548  0.58426  1.0000
  C   C1        1.0  0.48952  0.46400  0.52942  1.0000
  C   C2        1.0  0.47730  0.53027  0.45403  1.0000
  H   H5        1.0  0.44184  0.50025  0.39775  1.0000
  S   S1        1.0  0.41918  0.35141  0.65124  1.0000
  H   H6        1.0  0.43834  0.58809  0.47567  1.0000
  C   C3        1.0  0.40033  0.43074  0.56224  1.0000
  H   H7        1.0  0.36390  0.39838  0.50803  1.0000
  H   H8        1.0  0.36039  0.48631  0.58721  1.0000
  H   H9        1.0  0.33287  0.33425  0.66844  1.0000
