data_Ta2MnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   2.97
_cell_angle_alpha   96.61
_cell_angle_beta   96.61
_cell_angle_gamma   115.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnPb
_chemical_formula_sum   'Ta2 Mn1 Pb1'
_cell_volume   74.68
_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  0.11  0.74  0.45  1.0
  Ta  Ta3  1  0.11  0.26  0.45  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.85  0.0  0.0  1.0

data_Ta2MnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   115.34
_cell_angle_beta   96.61
_cell_angle_gamma   96.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnPb
_chemical_formula_sum   'Ta2 Mn1 Pb1'
_cell_volume   74.68
_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  0.45  0.11  0.26  1.0
  Ta  Ta1  1  0.45  0.11  0.74  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  -0.0  0.85  0.0  1.0

Ta Ta Mn Pb
Ta2MnPb crystallizes in the triclinic P1 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), two equivalent Mn(1), and one Pb(1) atom. The Ta(1)-Ta(2) bond length is 2.62 Å. There is one shorter (2.21 Å) and one longer (2.29 Å) Ta(1)-Mn(1) bond length. The Ta(1)-Pb(1) bond length is 3.71 Å. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to one Ta(1), two equivalent Mn(1), and two equivalent Pb(1) atoms. There is one shorter (1.64 Å) and one longer (2.22 Å) Ta(2)-Mn(1) bond length. There is one shorter (1.75 Å) and one longer (2.41 Å) Ta(2)-Pb(1) bond length. Mn(1) is bonded in a single-bond geometry to two equivalent Ta(1), two equivalent Ta(2), and one Pb(1) atom. The Mn(1)-Pb(1) bond length is 0.78 Å. Pb(1) is bonded in a single-bond geometry to one Ta(1), two equivalent Ta(2), and one Mn(1) atom.