data_Nb2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   21.44
_cell_angle_beta   21.44
_cell_angle_gamma   21.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BiTe
_chemical_formula_sum   'Nb2 Bi1 Te1'
_cell_volume   86.72
_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  Nb1  1  0.0  0.0  0.78  1.0
  Nb  Nb2  1  0.0  0.0  0.73  1.0
  Bi  Bi0  1  0.0  0.0  0.26  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Nb2BiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   3.37
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2BiTe
_chemical_formula_sum   'Nb4 Bi2 Te2'
_cell_volume   173.44
_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  -0.0  0.0  0.27  1.0
  Nb  Nb1  2  -0.0  0.0  0.22  1.0
  Bi  Bi2  2  -0.0  0.0  0.74  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Nb Nb Bi Te
Nb Nb Bi Te 0 1 o o o 0 3 o o + 1 3 o o + 2 3 o o o 
Nb2BiTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Nb2BiTe clusters. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a linear geometry to one Nb(2) and one Te(1) atom. The Nb(1)-Nb(2) bond length is 0.45 Å. The Nb(1)-Te(1) bond length is 1.98 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Nb(1) atom. Bi(1) is bonded in a single-bond geometry to one Te(1) atom. The Bi(1)-Te(1) bond length is 2.32 Å. Te(1) is bonded in a distorted linear geometry to one Nb(1) and one Bi(1) atom.