data_Zr5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.78
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Ni3
_chemical_formula_sum   'Zr5 Ni3'
_cell_volume   142.29
_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
  Zr  Zr3  1  0.0  0.0  0.61  1.0
  Zr  Zr4  1  0.47  0.0  0.07  1.0
  Zr  Zr5  1  0.47  0.39  0.77  1.0
  Zr  Zr6  1  0.0  0.39  0.23  1.0
  Zr  Zr7  1  0.47  0.39  0.69  1.0
  Ni  Ni0  1  0.47  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.54  1.0
  Ni  Ni2  1  0.0  0.39  0.3  1.0

data_Zr5Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.78
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Ni3
_chemical_formula_sum   'Zr5 Ni3'
_cell_volume   142.29
_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
  Zr  Zr0  1  0.0  0.0  0.61  1.0
  Zr  Zr1  1  0.0  0.39  0.23  1.0
  Zr  Zr2  1  0.47  0.0  0.07  1.0
  Zr  Zr3  1  0.47  0.39  0.69  1.0
  Zr  Zr4  1  0.47  0.39  0.77  1.0
  Ni  Ni5  1  0.0  0.0  0.54  1.0
  Ni  Ni6  1  0.0  0.39  0.3  1.0
  Ni  Ni7  1  0.47  0.0  0.0  1.0

Zr Zr Zr Zr Zr Ni Ni Ni
(Zr)2(ZrNi)3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr cluster and three ZrNi clusters. In the Zr cluster, there are two inequivalent Zr sites. In the first Zr site, Zr(3) is bonded in a distorted single-bond geometry to one Zr(5) atom. The Zr(3)-Zr(5) bond length is 0.76 Å. In the second Zr site, Zr(5) is bonded in a single-bond geometry to one Zr(3) atom. In each ZrNi cluster, Zr(1) is bonded in a single-bond geometry to one Ni(2) atom. The Zr(1)-Ni(2) bond length is 0.76 Å. Ni(2) is bonded in a single-bond geometry to one Zr(1) atom.