data_TaTiNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiNb2
_chemical_formula_sum   'Ta1 Ti1 Nb2'
_cell_volume   70.88
_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  Ta2  1  0.0  0.0  0.65  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.64  0.0  0.31  1.0
  Nb  Nb1  1  0.64  0.0  0.99  1.0

data_TaTiNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiNb2
_chemical_formula_sum   'Ta1 Ti1 Nb2'
_cell_volume   70.88
_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  0.0  0.0  0.65  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.64  0.0  0.31  1.0
  Nb  Nb3  1  0.64  0.0  0.99  1.0

Ta Ti Nb Nb
TiTaNb2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted linear geometry to one Ta(1), two equivalent Nb(1), and two equivalent Nb(2) atoms. The Ti(1)-Ta(1) bond length is 3.22 Å. There is one shorter (3.08 Å) and one longer (3.43 Å) Ti(1)-Nb(1) bond length. There is one shorter (1.01 Å) and one longer (1.83 Å) Ti(1)-Nb(2) bond length. Ta(1) is bonded in a 11-coordinate geometry to one Ti(1), six equivalent Ta(1), two equivalent Nb(1), and two equivalent Nb(2) atoms. There are four shorter (2.84 Å) and two longer (3.29 Å) Ta(1)-Ta(1) bond lengths. There is one shorter (3.33 Å) and one longer (3.67 Å) Ta(1)-Nb(1) bond length. There is one shorter (3.33 Å) and one longer (3.67 Å) Ta(1)-Nb(2) bond length. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1), two equivalent Ta(1), one Nb(2), and six equivalent Nb(1) atoms. The Nb(1)-Nb(2) bond length is 2.95 Å. There are four shorter (2.84 Å) and two longer (3.29 Å) Nb(1)-Nb(1) bond lengths. In the second Nb site, Nb(2) is bonded in a distorted linear geometry to two equivalent Ti(1), two equivalent Ta(1), and one Nb(1) atom.