data_[Pu2Pd6Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8866]
_cell_length_b [7.0621]
_cell_length_c [9.2285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pu(PdAu2)3]
_chemical_formula_sum '[Pu2 Pd6 Au12]'
_cell_volume [382.1262]
_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
  Pd  Pd1  4  0.2424  0.1828  0.4458  1
  Pd  Pd2  2  0.5000  0.0000  0.0000  1
  Au  Au3  4  0.1326  0.0606  0.6761  1
  Au  Au4  4  0.2547  0.6875  0.8447  1
  Au  Au5  4  0.4907  0.1519  0.2864  1
]