data_TaTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58
_cell_length_b   11.58
_cell_length_c   11.58
_cell_angle_alpha   16.37
_cell_angle_beta   16.37
_cell_angle_gamma   16.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Bi
_chemical_formula_sum   'Ta1 Tl2 Bi1'
_cell_volume   107.48
_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  0.62  1.0
  Tl  Tl2  1  0.0  0.0  0.35  1.0
  Tl  Tl3  1  0.0  0.0  0.83  1.0
  Bi  Bi0  1  0.0  0.0  0.58  1.0

data_TaTl2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.3
_cell_length_c   11.58
_cell_angle_alpha   90.0
_cell_angle_beta   99.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTl2Bi
_chemical_formula_sum   'Ta2 Tl4 Bi2'
_cell_volume   214.95
_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  0.38  1.0
  Tl  Tl1  2  0.0  0.0  0.17  1.0
  Tl  Tl2  2  0.0  0.0  0.65  1.0
  Bi  Bi3  2  0.0  0.0  0.42  1.0

Ta Tl Tl Bi
Ta Tl Tl Bi 0 3 o o o 0 1 o o o 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
TaTl2Bi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaTl2Bi clusters. Ta(1) is bonded in a single-bond geometry to one Tl(2) and one Bi(1) atom. The Ta(1)-Tl(2) bond length is 2.44 Å. The Ta(1)-Bi(1) bond length is 0.49 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Bi(1) atom. The Tl(1)-Bi(1) bond length is 2.67 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Ta(1) atom. Bi(1) is bonded in a single-bond geometry to one Ta(1) and one Tl(1) atom.