data_[Pu4Pd2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.8452]
_cell_length_b [10.5892]
_cell_length_c [4.0322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Pu2PdS4]
_chemical_formula_sum '[Pu4 Pd2 S8]'
_cell_volume [292.2750]
_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
[
  Pu  Pu0  4  0.1218  0.1777  0.5000  1
  Pd  Pd1  2  0.0000  0.5000  0.0000  1
  S  S2  4  0.1052  0.7137  0.0000  1
  S  S3  4  0.2486  0.9391  0.5000  1
]