data_[Cd2S2O8]
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 [Pmn2_1]
_cell_length_a [6.6009]
_cell_length_b [4.8481]
_cell_length_c [4.8807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CdSO4]
_chemical_formula_sum '[Cd2 S2 O8]'
_cell_volume [156.1887]
_cell_formula_units_Z [2]
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  0.1294  0.2659  1.0
  S  S1  2  0.0000  0.6716  0.7294  1.0
  O  O2  4  0.1802  0.8123  0.6014  1.0
  O  O3  2  0.0000  0.3733  0.6660  1.0
  O  O4  2  0.0000  0.7050  0.0316  1.0
]