data_Zr2CuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.62
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuRe
_chemical_formula_sum   'Zr2 Cu1 Re1'
_cell_volume   71.38
_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  Zr2  1  0.66  0.0  0.58  1.0
  Zr  Zr3  1  0.66  0.31  0.93  1.0
  Cu  Cu0  1  0.0  0.0  0.87  1.0
  Re  Re1  1  0.0  0.31  0.6  1.0

data_Zr2CuRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.62
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuRe
_chemical_formula_sum   'Zr2 Cu1 Re1'
_cell_volume   71.38
_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  0.66  0.0  0.58  1.0
  Zr  Zr1  1  0.66  0.31  0.93  1.0
  Cu  Cu2  1  0.0  0.0  0.87  1.0
  Re  Re3  1  0.0  0.31  0.6  1.0

Zr Zr Cu Re
Zr Zr Cu Re 0 3 + o o 0 2 + o o 0 1 o o o 1 2 + o o 1 3 + o o 2 3 o o o 
Zr2ReCu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2ReCu cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one Re(1) and one Cu(1) atom. The Zr(1)-Re(1) bond length is 1.82 Å. The Zr(1)-Cu(1) bond length is 1.75 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one Re(1) and one Cu(1) atom. The Zr(2)-Re(1) bond length is 1.90 Å. The Zr(2)-Cu(1) bond length is 1.84 Å. Re(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Zr(2) atom. Cu(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Zr(2) atom.