data_Ta5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Bi
_chemical_formula_sum   'Ta5 Bi1'
_cell_volume   121.14
_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  0.0  0.0  0.17  1.0
  Ta  Ta2  1  0.0  0.0  0.06  1.0
  Ta  Ta3  1  0.72  0.72  0.65  1.0
  Ta  Ta4  1  0.72  0.72  0.59  1.0
  Ta  Ta5  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.72  0.72  0.12  1.0

data_Ta5Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta5Bi
_chemical_formula_sum   'Ta10 Bi2'
_cell_volume   242.29
_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
  Ta  Ta0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.06  1.0
  Ta  Ta2  2  0.0  0.0  0.17  1.0
  Ta  Ta3  2  0.22  0.5  0.59  1.0
  Ta  Ta4  2  0.22  0.5  0.65  1.0
  Bi  Bi5  2  0.22  0.5  0.12  1.0

Ta Ta Ta Ta Ta Bi
(Ta)2Ta3Bi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ta clusters and two Ta3Bi clusters. In each Ta cluster, there are two inequivalent Ta sites. In the first Ta site, Ta(3) is bonded in a single-bond geometry to one Ta(4) atom. The Ta(3)-Ta(4) bond length is 0.64 Å. In the second Ta site, Ta(4) is bonded in a single-bond geometry to one Ta(3) atom. In each Ta3Bi cluster, there are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one Ta(2) and one Bi(1) atom. The Ta(1)-Ta(2) bond length is 1.11 Å. The Ta(1)-Bi(1) bond length is 1.47 Å. In the second Ta site, Ta(2) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1), one Ta(5), and one Bi(1) atom. The Ta(2)-Ta(5) bond length is 0.65 Å. The Ta(2)-Bi(1) bond length is 1.47 Å. In the third Ta site, Ta(5) is bonded in a single-bond geometry to one Ta(2) atom. Bi(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom.