data_NbAlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlTe2
_chemical_formula_sum   'Nb1 Al1 Te2'
_cell_volume   90.95
_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  0.84  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.72  0.72  0.51  1.0
  Te  Te3  1  0.72  0.72  0.17  1.0

data_NbAlTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAlTe2
_chemical_formula_sum   'Nb2 Al2 Te4'
_cell_volume   181.9
_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  0.84  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.22  0.5  0.17  1.0
  Te  Te3  2  0.22  0.5  0.51  1.0

Nb Al Te Te
NbAlTe2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Te(1) atom. The Nb(1)-Al(1) bond length is 1.23 Å. The Nb(1)-Te(1) bond length is 2.90 Å. Al(1) is bonded in a 4-coordinate geometry to one Nb(1) and three equivalent Te(2) atoms. There is one shorter (1.90 Å) and two longer (2.97 Å) Al(1)-Te(2) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 2.57 Å. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to three equivalent Al(1) and one Te(1) atom.