data_NbReB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReB2
_chemical_formula_sum   'Nb1 Re1 B2'
_cell_volume   47.44
_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  0.0  0.0  0.18  1.0
  B  B0  1  0.58  0.0  0.7  1.0
  B  B1  1  0.58  0.0  0.65  1.0

data_NbReB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReB2
_chemical_formula_sum   'Nb1 Re1 B2'
_cell_volume   47.44
_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  0.0  0.0  0.18  1.0
  B  B2  1  0.58  0.0  0.65  1.0
  B  B3  1  0.58  0.0  0.7  1.0

Nb Re B B
NbRe(B)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one boron molecule and one NbRe cluster. In the NbRe cluster, Nb(1) is bonded in a distorted single-bond geometry to one Re(1) atom. The Nb(1)-Re(1) bond length is 1.11 Å. Re(1) is bonded in a single-bond geometry to one Nb(1) atom.