data_[Cd4S4O16]
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 [C2/m]
_cell_length_a [14.3172]
_cell_length_b [5.7100]
_cell_length_c [6.8548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdSO4]
_chemical_formula_sum '[Cd4 S4 O16]'
_cell_volume [533.2815]
_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  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  2  0.0000  0.0000  0.5000  1
  S  S2  4  0.2224  0.5000  0.1809  1
  O  O3  8  0.2254  0.2173  0.7649  1
  O  O4  4  0.0758  0.0000  0.2990  1
  O  O5  4  0.1197  0.5000  0.0681  1
]