data_Ta2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   140.53
_cell_angle_beta   132.82
_cell_angle_gamma   63.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiBi
_chemical_formula_sum   'Ta2 Ni1 Bi1'
_cell_volume   72.0
_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  0.16  0.39  1.0
  Ta  Ta3  1  0.82  0.0  0.2  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.59  1.0

data_Ta2NiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.31
_cell_length_c   5.39
_cell_angle_alpha   113.59
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiBi
_chemical_formula_sum   'Ta2 Ni1 Bi1'
_cell_volume   72.0
_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  0.2  0.38  1.0
  Ta  Ta1  1  0.84  0.24  0.24  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.59  0.59  1.0

Ta Ta Ni Bi
Ta2NiBi crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one Ta(2), two equivalent Ni(1), and one Bi(1) atom. The Ta(1)-Ta(2) bond length is 0.86 Å. There is one shorter (1.56 Å) and one longer (2.90 Å) Ta(1)-Ni(1) bond length. The Ta(1)-Bi(1) bond length is 1.80 Å. In the second Ta site, Ta(2) is bonded in a distorted L-shaped geometry to one Ta(1), one Ni(1), and two equivalent Bi(1) atoms. The Ta(2)-Ni(1) bond length is 1.87 Å. There is one shorter (1.61 Å) and one longer (3.25 Å) Ta(2)-Bi(1) bond length. Ni(1) is bonded in a 4-coordinate geometry to one Ta(2), two equivalent Ta(1), and one Bi(1) atom. The Ni(1)-Bi(1) bond length is 2.21 Å. Bi(1) is bonded in a 4-coordinate geometry to one Ta(1), two equivalent Ta(2), and one Ni(1) atom.