data_TaBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.62
_cell_angle_alpha   118.49
_cell_angle_beta   118.49
_cell_angle_gamma   36.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBPd2
_chemical_formula_sum   'Ta1 B1 Pd2'
_cell_volume   55.56
_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  Ta3  1  0.75  0.0  0.21  1.0
  B  B0  1  0.68  0.0  0.01  1.0
  Pd  Pd1  1  0.45  0.0  0.77  1.0
  Pd  Pd2  1  0.27  0.0  0.01  1.0

data_TaBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.62
_cell_length_c   4.83
_cell_angle_alpha   118.49
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBPd2
_chemical_formula_sum   'Ta1 B1 Pd2'
_cell_volume   55.56
_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  Ta0  1  0.0  0.21  0.75  1.0
  B  B1  1  0.0  0.01  0.68  1.0
  Pd  Pd2  1  0.0  0.01  0.27  1.0
  Pd  Pd3  1  0.0  0.77  0.45  1.0

Ta B Pd Pd
Ta B Pd Pd 0 1 o o o 0 3 o o o 1 2 o o - 1 3 o o o 2 3 o o + 
TaPd2B crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaPd2B cluster. Ta(1) is bonded in a single-bond geometry to one Pd(2) and one B(1) atom. The Ta(1)-Pd(2) bond length is 2.03 Å. The Ta(1)-B(1) bond length is 0.82 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Pd(2) and one B(1) atom. The Pd(1)-Pd(2) bond length is 1.66 Å. The Pd(1)-B(1) bond length is 1.13 Å. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Pd(1) atom. B(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Pd(1) atom.