data_Ta2MnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   4.24
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnPb
_chemical_formula_sum   'Ta2 Mn1 Pb1'
_cell_volume   70.14
_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  Ta2  1  0.87  0.0  0.21  1.0
  Ta  Ta3  1  0.0  0.12  0.21  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.87  0.12  0.0  1.0

data_Ta2MnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.24
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnPb
_chemical_formula_sum   'Ta2 Mn1 Pb1'
_cell_volume   70.14
_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  Ta0  1  -0.0  0.12  0.21  1.0
  Ta  Ta1  1  0.87  0.0  0.21  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.87  0.12  0.0  1.0

Ta Ta Mn Pb
Ta Ta Mn Pb 0 1 + o o 2 3 - o o 
Ta2MnPb is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2MnPb cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to one Ta(2), one Mn(1), and one Pb(1) atom. The Ta(1)-Ta(2) bond length is 0.70 Å. The Ta(1)-Mn(1) bond length is 1.04 Å. The Ta(1)-Pb(1) bond length is 1.05 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Ta(1), one Mn(1), and one Pb(1) atom. The Ta(2)-Mn(1) bond length is 1.05 Å. The Ta(2)-Pb(1) bond length is 1.04 Å. Mn(1) is bonded in a single-bond geometry to one Ta(1), one Ta(2), and one Pb(1) atom. The Mn(1)-Pb(1) bond length is 0.70 Å. Pb(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Mn(1) atom.