data_Ta2TiNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiNb
_chemical_formula_sum   'Ta2 Ti1 Nb1'
_cell_volume   71.98
_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
  Ta  Ta1  1  0.65  0.0  0.01  1.0
  Ta  Ta2  1  0.65  0.0  0.34  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.0  0.0  0.67  1.0

data_Ta2TiNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiNb
_chemical_formula_sum   'Ta2 Ti1 Nb1'
_cell_volume   71.98
_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
  Ta  Ta0  1  0.65  0.0  0.01  1.0
  Ta  Ta1  1  0.65  0.0  0.34  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.67  1.0

Ta Ta Ti Nb
TiTa2Nb crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and one Nb(1) atom. There is one shorter (1.00 Å) and one longer (1.86 Å) Ti(1)-Ta(1) bond length. The Ti(1)-Nb(1) bond length is 3.07 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted linear geometry to two equivalent Ti(1) and one Ta(2) atom. The Ta(1)-Ta(2) bond length is 3.06 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one Ta(1), four equivalent Ta(2), and one Nb(1) atom. All Ta(2)-Ta(2) bond lengths are 2.86 Å. The Ta(2)-Nb(1) bond length is 3.30 Å. Nb(1) is bonded in a 6-coordinate geometry to one Ti(1), one Ta(2), and four equivalent Nb(1) atoms. All Nb(1)-Nb(1) bond lengths are 2.86 Å.