data_Ta2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   133.76
_cell_angle_beta   133.76
_cell_angle_gamma   67.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RePd
_chemical_formula_sum   'Ta2 Re1 Pd1'
_cell_volume   66.31
_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  0.0  0.0  0.21  1.0
  Ta  Ta3  1  0.0  0.99  0.1  1.0
  Re  Re1  1  0.99  0.0  0.1  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Ta2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.06
_cell_angle_alpha   113.12
_cell_angle_beta   113.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RePd
_chemical_formula_sum   'Ta2 Re1 Pd1'
_cell_volume   66.31
_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  0.79  0.0  0.79  1.0
  Ta  Ta1  1  0.88  0.99  0.88  1.0
  Re  Re2  1  0.9  0.0  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ta Ta Re Pd
Ta2RePd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2RePd cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Ta(2) and one Re(1) atom. The Ta(1)-Ta(2) bond length is 0.47 Å. The Ta(1)-Re(1) bond length is 0.47 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Ta(1), one Re(1), and one Pd(1) atom. The Ta(2)-Re(1) bond length is 0.08 Å. The Ta(2)-Pd(1) bond length is 0.57 Å. Re(1) is bonded in a single-bond geometry to one Ta(1), one Ta(2), and one Pd(1) atom. The Re(1)-Pd(1) bond length is 0.57 Å. Pd(1) is bonded in a 2-coordinate geometry to one Ta(2) and one Re(1) atom.