data_Ta2InPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InPb
_chemical_formula_sum   'Ta2 In1 Pb1'
_cell_volume   83.56
_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  0.52  0.52  0.89  1.0
  Ta  Ta3  1  0.52  0.52  0.2  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.54  1.0

data_Ta2InPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2InPb
_chemical_formula_sum   'Ta4 In2 Pb2'
_cell_volume   167.11
_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  0.02  0.5  0.2  1.0
  Ta  Ta1  2  0.02  0.5  0.89  1.0
  In  In2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.54  1.0

Ta Ta In Pb
Ta Ta In Pb 0 2 o o + 0 2 o + + 0 2 + o + 0 2 + + + 0 1 o o + 0 3 + + o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 1 3 + + o 3 3 + o o 3 3 o + o 
Ta2InPb crystallizes in the monoclinic Cm 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), four equivalent In(1), and four equivalent Pb(1) atoms. The Ta(1)-Ta(2) bond length is 2.85 Å. There are a spread of Ta(1)-In(1) bond distances ranging from 2.31-2.43 Å. There are a spread of Ta(1)-Pb(1) bond distances ranging from 3.75-3.83 Å. In the second Ta site, Ta(2) is bonded in a 13-coordinate geometry to one Ta(1), four equivalent Ta(2), four equivalent In(1), and four equivalent Pb(1) atoms. All Ta(2)-Ta(2) bond lengths are 3.03 Å. There are a spread of Ta(2)-In(1) bond distances ranging from 2.77-2.87 Å. There are a spread of Ta(2)-Pb(1) bond distances ranging from 3.75-3.83 Å. In(1) is bonded in a 8-coordinate geometry to four equivalent Ta(1) and four equivalent Ta(2) atoms. Pb(1) is bonded to four equivalent Ta(1), four equivalent Ta(2), and four equivalent Pb(1) atoms to form a mixture of face and corner-sharing PbTa8Pb4 cuboctahedra. All Pb(1)-Pb(1) bond lengths are 3.03 Å.