data_NbReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   4.6
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReBi2
_chemical_formula_sum   'Nb1 Re1 Bi2'
_cell_volume   87.12
_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  Nb2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.79  0.0  0.64  1.0
  Bi  Bi0  1  0.79  0.3  0.0  1.0
  Bi  Bi1  1  0.0  0.3  0.64  1.0

data_NbReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.6
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReBi2
_chemical_formula_sum   'Nb1 Re1 Bi2'
_cell_volume   87.12
_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  Nb0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.79  0.0  0.64  1.0
  Bi  Bi2  1  0.0  0.3  0.64  1.0
  Bi  Bi3  1  0.79  0.3  -0.0  1.0

Nb Re Bi Bi
Nb Re Bi Bi 0 2 - o o 1 3 + o o 
NbReBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbReBi2 cluster. Nb(1) is bonded in a 2-coordinate geometry to one Re(1) and one Bi(1) atom. The Nb(1)-Re(1) bond length is 2.03 Å. The Nb(1)-Bi(1) bond length is 1.57 Å. Re(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Bi(2) atom. The Re(1)-Bi(2) bond length is 1.57 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Re(1) atom.