data_[Pu9Nb3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9752]
_cell_length_b [4.9752]
_cell_length_c [24.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pu3NbNi8]
_chemical_formula_sum '[Pu9 Nb3 Ni24]'
_cell_volume [523.5714]
_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  3  0.0000  0.0000  0.0006  1
  Pu  Pu1  3  0.0000  0.0000  0.3743  1
  Pu  Pu2  3  0.0000  0.0000  0.4996  1
  Nb  Nb3  3  0.0000  0.0000  0.8770  1
  Ni  Ni4  9  0.0039  0.5020  0.4402  1
  Ni  Ni5  9  0.1682  0.3364  0.2677  1
  Ni  Ni6  3  0.0000  0.0000  0.1873  1
  Ni  Ni7  3  0.0000  0.0000  0.6873  1
]