data_[Cd4S4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.5735]
_cell_length_b [9.0257]
_cell_length_c [7.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdSO3]
_chemical_formula_sum '[Cd4 S4 O12]'
_cell_volume [300.5940]
_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
[
  Cd  Cd0  4  0.2149  0.7106  0.4731  1.0
  S  S1  4  0.2585  0.0720  0.2877  1.0
  O  O2  4  0.0698  0.6099  0.1840  1.0
  O  O3  4  0.2652  0.5978  0.7550  1.0
  O  O4  4  0.3065  0.1389  0.0936  1.0
]