data_[Pu9As6Pd21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5381]
_cell_length_b [5.5381]
_cell_length_c [25.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu3As2Pd7]
_chemical_formula_sum '[Pu9 As6 Pd21]'
_cell_volume [680.9389]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1443  1
  Pu  Pu1  3  0.0000  0.0000  0.0000  1
  As  As2  6  0.0000  0.0000  0.3311  1
  Pd  Pd3  18  0.0019  0.5009  0.9191  1
  Pd  Pd4  3  -0.0000  -0.0000  0.5000  1
]