data_[Ba2Cd2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.6170]
_cell_length_b [5.4084]
_cell_length_c [8.2282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd(SO4)2]
_chemical_formula_sum '[Ba2 Cd2 S4 O16]'
_cell_volume [382.8400]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1281  0.5000  0.7748  1.0
  O  O3  8  0.0273  0.2738  0.7841  1.0
  O  O4  4  0.1942  0.5000  0.6105  1.0
  O  O5  4  0.2452  0.5000  0.9112  1.0
]