data_Nb2InTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InTe
_chemical_formula_sum   'Nb2 In1 Te1'
_cell_volume   90.74
_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  0.58  0.23  0.6  1.0
  Nb  Nb2  1  0.58  0.77  0.6  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.17  0.0  0.0  1.0

data_Nb2InTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   109.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InTe
_chemical_formula_sum   'Nb2 In1 Te1'
_cell_volume   90.74
_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  0.6  0.58  0.77  1.0
  Nb  Nb1  1  0.6  0.58  0.23  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.17  0.0  1.0

Nb Nb In Te
Nb Nb In Te 0 3 o o o 0 3 o o + 0 1 o o o 0 1 o - o 0 2 + o + 0 0 o o + 1 3 o + + 1 2 + + o 1 2 + + + 1 1 o o + 2 3 o o o 
Nb2InTe crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 1-coordinate geometry to two equivalent Nb(2) and one Te(1) atom. There is one shorter (2.56 Å) and one longer (2.92 Å) Nb(1)-Nb(2) bond length. The Nb(1)-Te(1) bond length is 2.55 Å. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent In(1), and two equivalent Te(1) atoms. Both Nb(2)-Nb(2) bond lengths are 3.21 Å. There is one shorter (2.55 Å) and one longer (2.94 Å) Nb(2)-In(1) bond length. There is one shorter (3.22 Å) and one longer (3.54 Å) Nb(2)-Te(1) bond length. In(1) is bonded in a distorted single-bond geometry to two equivalent Nb(2) and one Te(1) atom. The In(1)-Te(1) bond length is 0.92 Å. Te(1) is bonded in a distorted single-bond geometry to one Nb(1), two equivalent Nb(2), and one In(1) atom.