data_[Cd1H3S1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6622]
_cell_length_b [7.9924]
_cell_length_c [8.2370]
_cell_angle_alpha [111.1165]
_cell_angle_beta [93.5755]
_cell_angle_gamma [93.1211]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdH3SI3]
_chemical_formula_sum '[Cd1 H3 S1 I3]'
_cell_volume [284.7819]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.5590  0.4792  0.5602  1.0
  H  H1  1  0.1882  0.0553  0.1596  1.0
  H  H2  1  0.7788  0.0996  0.1730  1.0
  H  H3  1  0.8662  0.8726  0.9831  1.0
  S  S4  1  0.9656  0.0605  0.0372  1.0
  I  I5  1  0.0555  0.5984  0.4245  1.0
  I  I6  1  0.5140  0.0967  0.4090  1.0
  I  I7  1  0.6104  0.6009  0.9233  1.0
]