data_Si2H2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2H2S3
_chemical_formula_sum   'Si8 H8 S12'
_cell_volume   510.06
_cell_formula_units_Z   4
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
  Si  Si20  1  0.42  0.31  0.18  1.0
  Si  Si21  1  0.24  0.36  0.18  1.0
  Si  Si22  1  0.59  0.53  0.16  1.0
  Si  Si23  1  0.08  0.14  0.16  1.0
  Si  Si24  1  0.14  0.59  0.52  1.0
  Si  Si25  1  0.53  0.08  0.52  1.0
  Si  Si26  1  0.36  0.42  0.5  1.0
  Si  Si27  1  0.31  0.24  0.5  1.0
  H  H0  1  0.58  0.94  0.03  1.0
  H  H1  1  0.08  0.73  0.03  1.0
  H  H2  1  0.75  0.89  0.31  1.0
  H  H3  1  0.91  0.77  0.31  1.0
  H  H4  1  0.77  0.75  0.37  1.0
  H  H5  1  0.89  0.91  0.37  1.0
  H  H6  1  0.73  0.58  0.65  1.0
  H  H7  1  0.94  0.08  0.65  1.0
  S  S8  1  0.83  0.83  0.52  1.0
  S  S9  1  0.0  0.0  0.82  1.0
  S  S10  1  0.0  0.0  0.86  1.0
  S  S11  1  0.83  0.83  0.16  1.0
  S  S12  1  0.1  0.97  0.67  1.0
  S  S13  1  0.56  0.7  0.67  1.0
  S  S14  1  0.27  0.53  0.35  1.0
  S  S15  1  0.4  0.13  0.35  1.0
  S  S16  1  0.13  0.27  0.33  1.0
  S  S17  1  0.53  0.4  0.33  1.0
  S  S18  1  0.7  0.1  0.01  1.0
  S  S19  1  0.97  0.56  0.01  1.0

data_Si2H2S3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2H2S3
_chemical_formula_sum   'Si8 H8 S12'
_cell_volume   510.06
_cell_formula_units_Z   4
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
  Si  Si0  1  0.08  0.14  0.16  1.0
  Si  Si1  1  0.14  0.59  0.52  1.0
  Si  Si2  1  0.24  0.36  0.18  1.0
  Si  Si3  1  0.31  0.24  0.5  1.0
  Si  Si4  1  0.36  0.42  0.5  1.0
  Si  Si5  1  0.42  0.31  0.18  1.0
  Si  Si6  1  0.53  0.08  0.52  1.0
  Si  Si7  1  0.59  0.53  0.16  1.0
  H  H8  1  0.08  0.73  0.03  1.0
  H  H9  1  0.58  0.94  0.03  1.0
  H  H10  1  0.73  0.58  0.65  1.0
  H  H11  1  0.75  0.89  0.31  1.0
  H  H12  1  0.77  0.75  0.37  1.0
  H  H13  1  0.89  0.91  0.37  1.0
  H  H14  1  0.91  0.77  0.31  1.0
  H  H15  1  0.94  0.08  0.65  1.0
  S  S16  1  0.0  0.0  0.82  1.0
  S  S17  1  0.0  0.0  0.86  1.0
  S  S18  1  0.1  0.97  0.67  1.0
  S  S19  1  0.13  0.27  0.33  1.0
  S  S20  1  0.27  0.53  0.35  1.0
  S  S21  1  0.4  0.13  0.35  1.0
  S  S22  1  0.53  0.4  0.33  1.0
  S  S23  1  0.56  0.7  0.67  1.0
  S  S24  1  0.7  0.1  0.01  1.0
  S  S25  1  0.83  0.83  0.16  1.0
  S  S26  1  0.83  0.83  0.52  1.0
  S  S27  1  0.97  0.56  0.01  1.0

Si Si Si Si Si Si Si Si H H H H H H H H S S S S S S S S S S S S