data_Ta2NbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbBi
_chemical_formula_sum   'Ta2 Nb1 Bi1'
_cell_volume   81.88
_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  0.77  0.0  0.13  1.0
  Ta  Ta3  1  0.77  0.0  0.98  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.55  1.0

data_Ta2NbBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbBi
_chemical_formula_sum   'Ta2 Nb1 Bi1'
_cell_volume   81.88
_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  0.77  0.0  0.13  1.0
  Ta  Ta1  1  0.77  0.0  0.98  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.55  1.0

Ta Ta Nb Bi
Ta2NbBi crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one Ta(2), one Nb(1), and one Bi(1) atom. The Ta(1)-Ta(2) bond length is 1.34 Å. The Ta(1)-Nb(1) bond length is 1.37 Å. The Ta(1)-Bi(1) bond length is 3.95 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Ta(1), one Nb(1), and one Bi(1) atom. The Ta(2)-Nb(1) bond length is 0.73 Å. The Ta(2)-Bi(1) bond length is 3.95 Å. Nb(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Ta(2) atom. Bi(1) is bonded in a 8-coordinate geometry to one Ta(1), one Ta(2), and six equivalent Bi(1) atoms. There are four shorter (3.10 Å) and two longer (3.54 Å) Bi(1)-Bi(1) bond lengths.