data_NbNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.88
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Te
_chemical_formula_sum   'Nb1 Ni2 Te1'
_cell_volume   61.27
_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  0.86  0.94  0.0  1.0
  Ni  Ni1  1  0.86  0.0  0.13  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.94  0.13  1.0

data_NbNi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.88
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Te
_chemical_formula_sum   'Nb1 Ni2 Te1'
_cell_volume   61.27
_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  0.86  0.94  -0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.86  0.0  0.13  1.0
  Te  Te3  1  0.0  0.94  0.13  1.0

Nb Ni Ni Te
Nb Ni Ni Te 0 2 + + o 0 1 o + o 1 3 + - o 2 3 o - o 
NbNi2Te is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbNi2Te cluster. Nb(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. The Nb(1)-Ni(1) bond length is 0.59 Å. The Nb(1)-Ni(2) bond length is 0.58 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to one Nb(1) and one Te(1) atom. The Ni(1)-Te(1) bond length is 0.58 Å. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to one Nb(1) and one Te(1) atom. The Ni(2)-Te(1) bond length is 0.59 Å. Te(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom.