data_ZrNb2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Re
_chemical_formula_sum   'Zr1 Nb2 Re1'
_cell_volume   73.83
_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  0.0  1.0
  Nb  Nb0  1  0.0  0.95  0.43  1.0
  Nb  Nb1  1  0.95  0.0  0.43  1.0
  Re  Re2  1  0.95  0.95  0.0  1.0

data_ZrNb2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrNb2Re
_chemical_formula_sum   'Zr2 Nb4 Re2'
_cell_volume   147.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.47  0.47  0.43  1.0
  Re  Re2  2  0.45  0.5  -0.0  1.0

Zr Nb Nb Re
Zr Nb Nb Re 0 3 - - o 1 2 - + o 
(Nb)2Zr(Re) is alpha oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two rhenium;zirconium molecules and two Nb clusters. In each Nb cluster, Nb(1) is bonded in a single-bond geometry to one Nb(1) atom. The Nb(1)-Nb(1) bond length is 0.28 Å.