data_TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPd
_chemical_formula_sum   'Ta2 Pd2'
_cell_volume   67.75
_cell_formula_units_Z   2
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  0.0  0.67  0.39  1.0
  Ta  Ta3  1  0.44  0.83  0.99  1.0
  Pd  Pd0  1  0.0  0.67  0.19  1.0
  Pd  Pd1  1  0.44  0.83  0.19  1.0

data_TaPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaPd
_chemical_formula_sum   'Ta2 Pd2'
_cell_volume   67.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.58  0.8  1.0
  Pd  Pd1  2  0.22  0.58  0.0  1.0

Ta Ta Pd Pd
Ta Ta Pd Pd 0 3 o o o 0 2 o o o 1 2 o o + 1 3 o o + 2 3 o o o 
PdTa crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PdTa cluster. Ta(1) is bonded in a distorted single-bond geometry to one Pd(1) atom. The Ta(1)-Pd(1) bond length is 1.89 Å. Pd(1) is bonded in a distorted L-shaped geometry to one Ta(1) and one Pd(1) atom. The Pd(1)-Pd(1) bond length is 1.12 Å.