data_[Pu36Ni3Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7422]
_cell_length_b [10.7422]
_cell_length_c [11.4103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu12NiRh6]
_chemical_formula_sum '[Pu36 Ni3 Rh18]'
_cell_volume [1140.2818]
_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  18  0.0539  0.2361  0.4121  1
  Pu  Pu1  18  0.0557  0.8721  0.7914  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Rh  Rh3  18  0.0588  0.6033  0.7100  1
]