data_TaPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPbAu2
_chemical_formula_sum   'Ta1 Pb1 Au2'
_cell_volume   79.18
_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  Ta3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.12  0.12  0.0  1.0
  Au  Au0  1  0.0  0.12  0.21  1.0
  Au  Au1  1  0.12  0.0  0.21  1.0

data_TaPbAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaPbAu2
_chemical_formula_sum   'Ta2 Pb2 Au4'
_cell_volume   158.36
_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
  Pb  Pb1  2  0.12  0.0  -0.0  1.0
  Au  Au2  4  0.06  0.06  0.21  1.0

Ta Pb Au Au
Ta Pb Au Au 0 1 o o o 2 3 o o o 
TaAu2Pb is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaAu2Pb clusters. Ta(1) is bonded in a 3-coordinate geometry to two equivalent Au(1) and one Pb(1) atom. Both Ta(1)-Au(1) bond lengths are 1.04 Å. The Ta(1)-Pb(1) bond length is 0.71 Å. Au(1) is bonded in a 3-coordinate geometry to one Ta(1), one Au(1), and one Pb(1) atom. The Au(1)-Au(1) bond length is 0.71 Å. The Au(1)-Pb(1) bond length is 1.04 Å. Pb(1) is bonded in a distorted single-bond geometry to one Ta(1) and two equivalent Au(1) atoms.