data_[Tb2Pu2Ag4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pu  1.2800  1.7500  0.9675
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.4333]
_cell_length_b [5.4333]
_cell_length_c [12.2528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [TbPu(AgS2)2]
_chemical_formula_sum '[Tb2 Pu2 Ag4 S8]'
_cell_volume [361.7154]
_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
[
  Tb  Tb0  2  0.0000  0.5000  0.2500  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  2  0.0000  0.5000  0.7500  1
  S  S4  4  0.0000  0.0000  0.2714  1
  S  S5  4  0.0000  0.5000  0.0245  1
]