data_Nb2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReNi
_chemical_formula_sum   'Nb2 Re1 Ni1'
_cell_volume   62.22
_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  0.61  0.61  0.56  1.0
  Nb  Nb1  1  0.61  0.61  0.47  1.0
  Re  Re3  1  0.0  0.0  0.02  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Nb2ReNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2ReNi
_chemical_formula_sum   'Nb4 Re2 Ni2'
_cell_volume   124.45
_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  0.11  0.5  0.47  1.0
  Nb  Nb1  2  0.11  0.5  0.56  1.0
  Re  Re2  2  0.0  0.0  0.02  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

Nb Nb Re Ni
Nb Nb Re Ni 0 1 o o o 2 3 o o o 
(Nb)2ReNi is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two 92838-90-9 molecules and two Nb clusters. In each Nb cluster, there are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Nb(2) atom. The Nb(1)-Nb(2) bond length is 0.55 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Nb(1) atom.