data_[Pu1Cd1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1194]
_cell_length_b [4.9497]
_cell_length_c [8.1374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuCdAu4]
_chemical_formula_sum '[Pu1 Cd1 Au4]'
_cell_volume [124.5569]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  Cd  Cd1  1  0.5000  0.5000  0.5000  1
  Au  Au2  2  0.0458  0.5000  0.1723  1
  Au  Au3  2  0.1565  0.0000  0.3434  1
]