data_Nb2CdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdRe
_chemical_formula_sum   'Nb2 Cd1 Re1'
_cell_volume   72.05
_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
  Nb  Nb1  1  0.63  0.63  0.14  1.0
  Nb  Nb2  1  0.0  0.0  0.8  1.0
  Cd  Cd0  1  0.0  0.0  0.98  1.0
  Re  Re3  1  0.63  0.63  0.19  1.0

data_Nb2CdRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2CdRe
_chemical_formula_sum   'Nb4 Cd2 Re2'
_cell_volume   144.1
_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
  Nb  Nb0  2  0.0  0.0  0.8  1.0
  Nb  Nb1  2  0.13  0.5  0.14  1.0
  Cd  Cd2  2  0.0  0.0  0.98  1.0
  Re  Re3  2  0.13  0.5  0.19  1.0

Nb Nb Cd Re
Nb Nb Cd Re 0 3 o o o 1 2 o o o 
Nb2ReCd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Nb2ReCd clusters. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Re(1) and one Cd(1) atom. The Nb(1)-Re(1) bond length is 0.29 Å. The Nb(1)-Cd(1) bond length is 2.00 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Cd(1) atom. The Nb(2)-Cd(1) bond length is 1.21 Å. Re(1) is bonded in a single-bond geometry to one Nb(1) atom. Cd(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom.