data_[Ba8Pu4Cd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pu  1.2800  1.7500  0.9675
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2088]
_cell_length_b [18.0894]
_cell_length_c [12.9799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2PuCdS5]
_chemical_formula_sum '[Ba8 Pu4 Cd4 S20]'
_cell_volume [988.2258]
_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
[
  Ba  Ba0  4  0.0000  0.1092  0.6846  1
  Ba  Ba1  4  0.0000  0.1280  0.3113  1
  Pu  Pu2  4  0.0000  0.2083  0.0160  1
  Cd  Cd3  4  0.0000  0.4509  0.4492  1
  S  S4  4  0.0000  0.0607  0.0577  1
  S  S5  4  0.0000  0.2856  0.6493  1
  S  S6  4  0.0000  0.3051  0.3797  1
  S  S7  4  0.0000  0.3537  0.0023  1
  S  S8  4  0.0000  0.4968  0.7738  1
]