data_H2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   118.58
_cell_angle_beta   118.58
_cell_angle_gamma   92.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2S
_chemical_formula_sum   'H16 S8'
_cell_volume   311.8
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  H  H0  1  0.2  0.95  0.92  1.0
  H  H1  1  0.95  0.66  0.54  1.0
  H  H2  1  0.91  0.34  0.31  1.0
  H  H3  1  0.52  0.09  0.92  1.0
  H  H4  1  0.52  0.91  0.69  1.0
  H  H5  1  0.81  0.66  0.31  1.0
  H  H6  1  0.95  0.34  0.31  1.0
  H  H7  1  0.52  0.95  0.69  1.0
  H  H8  1  0.52  0.05  0.92  1.0
  H  H9  1  0.91  0.52  0.54  1.0
  H  H10  1  0.95  0.2  0.31  1.0
  H  H11  1  0.34  0.95  0.92  1.0
  H  H12  1  0.34  0.77  0.69  1.0
  H  H13  1  0.91  0.66  0.54  1.0
  H  H14  1  0.91  0.2  0.31  1.0
  H  H15  1  0.34  0.91  0.92  1.0
  S  S16  1  0.79  0.57  0.31  1.0
  S  S17  1  0.44  0.93  0.69  1.0
  S  S18  1  0.44  0.07  0.92  1.0
  S  S19  1  0.93  0.43  0.31  1.0
  S  S20  1  0.93  0.57  0.54  1.0
  S  S21  1  0.29  0.93  0.92  1.0
  S  S22  1  0.43  0.93  0.92  1.0
  S  S23  1  0.93  0.29  0.31  1.0

data_H2S
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   92.48
_cell_angle_beta   118.58
_cell_angle_gamma   118.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2S
_chemical_formula_sum   'H16 S8'
_cell_volume   311.8
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  H  H0  1  0.31  0.91  0.2  1.0
  H  H1  1  0.31  0.95  0.34  1.0
  H  H2  1  0.31  0.81  0.66  1.0
  H  H3  1  0.31  0.91  0.34  1.0
  H  H4  1  0.31  0.95  0.2  1.0
  H  H5  1  0.54  0.91  0.52  1.0
  H  H6  1  0.54  0.95  0.66  1.0
  H  H7  1  0.54  0.91  0.66  1.0
  H  H8  1  0.69  0.52  0.95  1.0
  H  H9  1  0.69  0.34  0.77  1.0
  H  H10  1  0.69  0.52  0.91  1.0
  H  H11  1  0.92  0.2  0.95  1.0
  H  H12  1  0.92  0.34  0.91  1.0
  H  H13  1  0.92  0.52  0.05  1.0
  H  H14  1  0.92  0.34  0.95  1.0
  H  H15  1  0.92  0.52  0.09  1.0
  S  S16  1  0.31  0.79  0.57  1.0
  S  S17  1  0.31  0.93  0.29  1.0
  S  S18  1  0.31  0.93  0.43  1.0
  S  S19  1  0.54  0.93  0.57  1.0
  S  S20  1  0.69  0.44  0.93  1.0
  S  S21  1  0.92  0.29  0.93  1.0
  S  S22  1  0.92  0.43  0.93  1.0
  S  S23  1  0.92  0.44  0.07  1.0

H H H H H H H H H H H H H H H H S S S S S S S S
H H H H H H H H H H H H H H H H S S S S S S S S 0 21 o o o 1 13 o o o 2 6 o o o 2 19 o o o 2 23 o o o 3 8 o o o 3 18 o o o 4 7 o o o 4 12 o o o 4 17 o o o 5 16 o o o 6 19 o o o 6 23 o o o 7 17 o o o 8 18 o o o 9 20 o o o 10 14 o o o 11 15 o o o 11 12 o o o 11 21 o o o 11 22 o o o 12 15 o o o 12 17 o o o 12 22 o o o 15 21 o o o 15 22 o o o 