data_NbRe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.79
_cell_angle_alpha   99.47
_cell_angle_beta   99.47
_cell_angle_gamma   34.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2Ni
_chemical_formula_sum   'Nb1 Re2 Ni1'
_cell_volume   59.65
_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  0.09  0.0  0.27  1.0
  Re  Re2  1  0.24  0.0  0.71  1.0
  Re  Re3  1  0.66  0.0  0.65  1.0
  Ni  Ni1  1  0.56  0.0  0.18  1.0

data_NbRe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.74
_cell_length_c   4.79
_cell_angle_alpha   99.47
_cell_angle_beta   90.0
_cell_angle_gamma   107.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2Ni
_chemical_formula_sum   'Nb1 Re2 Ni1'
_cell_volume   59.65
_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  0.91  0.73  1.0
  Re  Re1  1  0.0  0.34  0.35  1.0
  Re  Re2  1  0.0  0.76  0.29  1.0
  Ni  Ni3  1  0.0  0.44  0.82  1.0

Nb Re Re Ni
NbRe2Ni crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 3-coordinate geometry to one Re(1) and four equivalent Ni(1) atoms. The Nb(1)-Re(1) bond length is 2.12 Å. There are a spread of Nb(1)-Ni(1) bond distances ranging from 2.33-3.13 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 1-coordinate geometry to one Nb(1), one Re(2), and one Ni(1) atom. The Re(1)-Re(2) bond length is 2.09 Å. The Re(1)-Ni(1) bond length is 2.50 Å. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to one Re(1) and two equivalent Ni(1) atoms. There is one shorter (2.21 Å) and one longer (2.69 Å) Re(2)-Ni(1) bond length. Ni(1) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Re(1), two equivalent Re(2), and two equivalent Ni(1) atoms. Both Ni(1)-Ni(1) bond lengths are 2.78 Å.