data_NbCr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   131.79
_cell_angle_beta   131.79
_cell_angle_gamma   70.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Re
_chemical_formula_sum   'Nb1 Cr2 Re1'
_cell_volume   57.63
_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  0.86  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.93  0.0  0.93  1.0
  Re  Re3  1  0.0  0.93  0.93  1.0

data_NbCr2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.73
_cell_angle_alpha   114.1
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Re
_chemical_formula_sum   'Nb1 Cr2 Re1'
_cell_volume   57.63
_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  0.14  0.0  0.14  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.07  0.0  0.0  1.0
  Re  Re3  1  0.0  0.93  0.0  1.0

Nb Cr Cr Re
Nb Cr Cr Re 0 2 - o o 0 3 o - o 0 1 o o + 1 2 - o - 1 3 o - - 
NbCr2Re crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbCr2Re cluster. Nb(1) is bonded in a 2-coordinate geometry to one Cr(2) and one Re(1) atom. The Nb(1)-Cr(2) bond length is 0.59 Å. The Nb(1)-Re(1) bond length is 0.59 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted L-shaped geometry to one Cr(2) and one Re(1) atom. The Cr(1)-Cr(2) bond length is 0.27 Å. The Cr(1)-Re(1) bond length is 0.27 Å. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one Nb(1), one Cr(1), and one Re(1) atom. The Cr(2)-Re(1) bond length is 0.37 Å. Re(1) is bonded in a distorted single-bond geometry to one Nb(1), one Cr(1), and one Cr(2) atom.