data_Pu3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pu3Ni
_chemical_formula_sum   'Pu6 Ni2'
_cell_volume   168.1
_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  Pu2  1  0.0  0.93  0.67  1.0
  Pu  Pu3  1  0.52  0.49  0.67  1.0
  Pu  Pu4  1  0.48  0.49  0.67  1.0
  Pu  Pu5  1  0.67  0.97  0.22  1.0
  Pu  Pu6  1  0.63  0.97  0.22  1.0
  Pu  Pu7  1  0.15  0.53  0.22  1.0
  Ni  Ni0  1  0.15  0.82  0.67  1.0
  Ni  Ni1  1  0.0  0.64  0.22  1.0

data_Pu3Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.89
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pu3Ni
_chemical_formula_sum   'Pu6 Ni2'
_cell_volume   168.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.22  0.4  0.26  1.0
  Pu  Pu1  2  0.22  0.45  0.26  1.0
  Pu  Pu2  2  0.22  0.92  0.7  1.0
  Ni  Ni3  2  0.22  0.08  0.59  1.0

Pu Pu Pu Pu Pu Pu Ni Ni
(Pu)2PuNi is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two plutonium molecules and two PuNi clusters. In each PuNi cluster, Pu(1) is bonded in a single-bond geometry to one Ni(1) atom. The Pu(1)-Ni(1) bond length is 1.44 Å. Ni(1) is bonded in a single-bond geometry to one Pu(1) atom.