data_[Pu2Si8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.7202]
_cell_length_b [6.7202]
_cell_length_c [8.5020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pu(Si2Pd3)2]
_chemical_formula_sum '[Pu2 Si8 Pd12]'
_cell_volume [383.9556]
_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  2  0.0000  0.0000  0.0000  1
  Si  Si1  8  0.2071  0.2071  0.3507  1
  Pd  Pd2  8  0.1489  0.1489  0.6317  1
  Pd  Pd3  4  0.0000  0.5000  0.0000  1
]