data_Zr5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.12
_cell_angle_alpha   106.78
_cell_angle_beta   106.78
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Cu3
_chemical_formula_sum   'Zr5 Cu3'
_cell_volume   146.07
_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  0.71  0.0  0.41  1.0
  Zr  Zr4  1  0.83  0.0  0.41  1.0
  Zr  Zr5  1  0.27  0.48  0.41  1.0
  Zr  Zr6  1  0.12  0.0  0.0  1.0
  Zr  Zr7  1  0.27  0.52  0.41  1.0
  Cu  Cu0  1  0.56  0.48  0.0  1.0
  Cu  Cu1  1  0.56  0.52  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Zr5Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   60.0
_cell_angle_beta   73.22
_cell_angle_gamma   73.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Cu3
_chemical_formula_sum   'Zr5 Cu3'
_cell_volume   146.07
_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  0.88  0.0  1.0
  Zr  Zr1  1  0.41  0.73  0.52  1.0
  Zr  Zr2  1  0.41  0.17  0.0  1.0
  Zr  Zr3  1  0.41  0.29  0.0  1.0
  Zr  Zr4  1  0.41  0.73  0.48  1.0
  Cu  Cu5  1  0.0  0.0  0.0  1.0
  Cu  Cu6  1  0.0  0.44  0.52  1.0
  Cu  Cu7  1  0.0  0.44  0.48  1.0

Zr Zr Zr Zr Zr Cu Cu Cu
(Zr)2Zr3Cu(Cu)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one copper, mol. (cu2) molecule; one Zr3Cu cluster; and one zirconium molecule. In the Zr3Cu cluster, there are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one Zr(2) atom. The Zr(1)-Zr(2) bond length is 0.71 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one Zr(1) and one Cu(3) atom. The Zr(2)-Cu(3) bond length is 2.61 Å. In the third Zr site, Zr(4) is bonded in a single-bond geometry to one Cu(3) atom. The Zr(4)-Cu(3) bond length is 0.71 Å. Cu(3) is bonded in a single-bond geometry to one Zr(2) and one Zr(4) atom.