data_ZrCdNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdNi6
_chemical_formula_sum   'Zr4 Cd4 Ni24'
_cell_volume   417.28
_cell_formula_units_Z   4
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  Zr28  1  0.74  0.66  0.0  1.0
  Zr  Zr29  1  0.74  0.34  0.0  1.0
  Zr  Zr30  1  0.0  0.0  0.65  1.0
  Zr  Zr31  1  0.0  0.0  0.91  1.0
  Cd  Cd0  1  0.74  0.65  0.28  1.0
  Cd  Cd1  1  0.74  0.35  0.28  1.0
  Cd  Cd2  1  0.74  0.0  0.65  1.0
  Cd  Cd3  1  0.74  0.0  0.92  1.0
  Ni  Ni4  1  0.74  0.65  0.64  1.0
  Ni  Ni5  1  0.61  0.68  0.96  1.0
  Ni  Ni6  1  0.87  0.32  0.96  1.0
  Ni  Ni7  1  0.74  0.35  0.64  1.0
  Ni  Ni8  1  0.87  0.68  0.96  1.0
  Ni  Ni9  1  0.61  0.32  0.96  1.0
  Ni  Ni10  1  0.74  0.0  0.0  1.0
  Ni  Ni11  1  0.87  0.32  0.32  1.0
  Ni  Ni12  1  0.87  0.68  0.32  1.0
  Ni  Ni13  1  0.74  0.65  0.93  1.0
  Ni  Ni14  1  0.61  0.68  0.25  1.0
  Ni  Ni15  1  0.87  0.32  0.25  1.0
  Ni  Ni16  1  0.74  0.35  0.93  1.0
  Ni  Ni17  1  0.87  0.68  0.25  1.0
  Ni  Ni18  1  0.61  0.32  0.25  1.0
  Ni  Ni19  1  0.74  0.0  0.28  1.0
  Ni  Ni20  1  0.87  0.32  0.61  1.0
  Ni  Ni21  1  0.87  0.68  0.61  1.0
  Ni  Ni22  1  0.0  0.0  0.0  1.0
  Ni  Ni23  1  0.61  0.32  0.32  1.0
  Ni  Ni24  1  0.61  0.68  0.32  1.0
  Ni  Ni25  1  0.0  0.0  0.28  1.0
  Ni  Ni26  1  0.61  0.32  0.61  1.0
  Ni  Ni27  1  0.61  0.68  0.61  1.0

data_ZrCdNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdNi6
_chemical_formula_sum   'Zr4 Cd4 Ni24'
_cell_volume   417.28
_cell_formula_units_Z   4
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  0.65  1.0
  Zr  Zr1  1  0.0  0.0  0.91  1.0
  Zr  Zr2  1  0.74  0.34  0.0  1.0
  Zr  Zr3  1  0.74  0.66  0.0  1.0
  Cd  Cd4  1  0.74  0.0  0.65  1.0
  Cd  Cd5  1  0.74  0.0  0.92  1.0
  Cd  Cd6  1  0.74  0.35  0.28  1.0
  Cd  Cd7  1  0.74  0.65  0.28  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.28  1.0
  Ni  Ni10  1  0.61  0.32  0.61  1.0
  Ni  Ni11  1  0.61  0.32  0.96  1.0
  Ni  Ni12  1  0.61  0.68  0.61  1.0
  Ni  Ni13  1  0.61  0.68  0.96  1.0
  Ni  Ni14  1  0.61  0.32  0.25  1.0
  Ni  Ni15  1  0.61  0.32  0.32  1.0
  Ni  Ni16  1  0.61  0.68  0.25  1.0
  Ni  Ni17  1  0.61  0.68  0.32  1.0
  Ni  Ni18  1  0.74  0.0  0.0  1.0
  Ni  Ni19  1  0.74  0.0  0.28  1.0
  Ni  Ni20  1  0.74  0.35  0.64  1.0
  Ni  Ni21  1  0.74  0.35  0.93  1.0
  Ni  Ni22  1  0.74  0.65  0.64  1.0
  Ni  Ni23  1  0.74  0.65  0.93  1.0
  Ni  Ni24  1  0.87  0.32  0.25  1.0
  Ni  Ni25  1  0.87  0.32  0.32  1.0
  Ni  Ni26  1  0.87  0.68  0.25  1.0
  Ni  Ni27  1  0.87  0.68  0.32  1.0
  Ni  Ni28  1  0.87  0.32  0.61  1.0
  Ni  Ni29  1  0.87  0.32  0.96  1.0
  Ni  Ni30  1  0.87  0.68  0.61  1.0
  Ni  Ni31  1  0.87  0.68  0.96  1.0

Zr Zr Zr Zr Cd Cd Cd Cd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
Zr Zr Zr Zr Cd Cd Cd Cd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 17 o o - 0 9 o o - 0 12 o o - 1 20 o o - 1 10 o o - 1 13 o o - 2 25 - - o 2 6 - o o 3 26 o o + 4 18 o o o 4 28 o o o 4 21 o o o 4 16 o o o 4 23 o + o 5 22 o o o 5 27 o o o 5 19 o o o 5 15 o o o 5 23 o o o 6 31 o - o 6 24 o o o 7 14 o o + 8 31 o o o 8 25 o o o 9 17 o o o 10 20 o o o 11 30 o o o 11 24 o o o 12 17 o o o 13 20 o o o 15 19 o o o 15 23 o o o 16 21 o o o 16 29 + + o 18 28 o o o 18 23 o + o 19 23 o o o 21 29 + + o 22 27 o o o 23 28 o - o 23 29 + o o 
(Ni3Zr)2ZrNiZrNi3Cd(Ni)5(Ni4Cd)2NiCd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one nickel molecule, one Ni cluster, two Ni3Zr clusters, two Ni4Cd clusters, one NiCd cluster, one ZrNi cluster, and one ZrNi3Cd cluster. In the Ni cluster, there are two inequivalent Ni sites. In the first Ni site, Ni(22) is bonded in a distorted single-bond geometry to one Ni(16) atom. The Ni(22)-Ni(16) bond length is 1.70 Å. In the second Ni site, Ni(16) is bonded in a distorted single-bond geometry to one Ni(22) atom. In each Ni3Zr cluster, Zr(1) is bonded in a distorted single-bond geometry to one Ni(10), one Ni(2), and one Ni(5) atom. The Zr(1)-Ni(10) bond length is 0.73 Å. The Zr(1)-Ni(2) bond length is 0.99 Å. The Zr(1)-Ni(5) bond length is 0.92 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(10) is bonded in a single-bond geometry to one Zr(1) atom. In the second Ni site, Ni(5) is bonded in a distorted single-bond geometry to one Zr(1) atom. In the third Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Zr(1) atom. In each Ni4Cd cluster, there are two inequivalent Ni sites. In the first Ni site, Ni(9,14,15,20) is bonded in a 2-coordinate geometry to one Ni(9,14,15,20) and one Cd(1,2) atom. The Ni(9,14,15,20)-Ni(9,14,15,20) bond length is 0.68 Å. The Ni(9,14,15,20)-Cd(1,2) bond length is 0.87 Å. In the second Ni site, Ni(8,11,12,21) is bonded in a 2-coordinate geometry to one Ni(8,11,12,21) and one Cd(1,2) atom. The Ni(8,11,12,21)-Ni(8,11,12,21) bond length is 0.68 Å. The Ni(8,11,12,21)-Cd(1,2) bond length is 0.95 Å. Cd(1,2) is bonded in a 4-coordinate geometry to two equivalent Ni(8,11,12,21) and two equivalent Ni(9,14,15,20) atoms. In the NiCd cluster, Ni(7) is bonded in a single-bond geometry to one Cd(4) atom. The Ni(7)-Cd(4) bond length is 0.85 Å. Cd(4) is bonded in a distorted single-bond geometry to one Ni(7) atom. In the ZrNi cluster, Zr(4) is bonded in a distorted single-bond geometry to one Ni(19) atom. The Zr(4)-Ni(19) bond length is 0.90 Å. Ni(19) is bonded in a single-bond geometry to one Zr(4) atom. In the ZrNi3Cd cluster, Zr(3) is bonded in a 2-coordinate geometry to one Ni(18) and one Cd(3) atom. The Zr(3)-Ni(18) bond length is 2.04 Å. The Zr(3)-Cd(3) bond length is 1.70 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 120 degrees geometry to one Ni(18) and one Ni(24) atom. The Ni(1)-Ni(18) bond length is 0.87 Å. The Ni(1)-Ni(24) bond length is 0.98 Å. In the second Ni site, Ni(18) is bonded in a distorted water-like geometry to one Zr(3) and one Ni(1) atom. In the third Ni site, Ni(24) is bonded in a distorted single-bond geometry to one Ni(1) atom. Cd(3) is bonded in a 1-coordinate geometry to one Zr(3) atom.