data_[Pu16Pd4Rh6]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7128]
_cell_length_b [5.5716]
_cell_length_c [8.6317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu8Pd2Rh3]
_chemical_formula_sum '[Pu16 Pd4 Rh6]'
_cell_volume [514.5872]
_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  8  0.2137  0.2118  0.8708  1
  Pu  Pu1  4  0.0272  0.5000  0.6703  1
  Pu  Pu2  4  0.1440  0.0000  0.2614  1
  Pd  Pd3  4  0.2351  0.5000  0.4297  1
  Rh  Rh4  4  0.0000  0.2643  0.0000  1
  Rh  Rh5  2  0.0000  0.0000  0.5000  1
]