data_Ta2CdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdPd
_chemical_formula_sum   'Ta2 Cd1 Pd1'
_cell_volume   70.73
_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  0.42  0.19  0.42  1.0
  Ta  Ta3  1  0.42  0.81  0.42  1.0
  Cd  Cd0  1  0.84  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Ta2CdPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   113.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdPd
_chemical_formula_sum   'Ta2 Cd1 Pd1'
_cell_volume   70.73
_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  0.42  0.42  0.81  1.0
  Ta  Ta1  1  0.42  0.42  0.19  1.0
  Cd  Cd2  1  0.0  0.84  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ta Ta Cd Pd
Ta Ta Cd Pd 0 3 o o o 0 1 o - o 1 2 o + o 2 3 + o o 
Ta2PdCd crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and two equivalent Pd(1) atoms. There is one shorter (1.97 Å) and one longer (3.25 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.34 Å) and one longer (2.60 Å) Ta(1)-Pd(1) bond length. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Pd(1), and two equivalent Cd(1) atoms. Both Ta(2)-Ta(2) bond lengths are 2.84 Å. There is one shorter (3.00 Å) and one longer (3.21 Å) Ta(2)-Pd(1) bond length. There is one shorter (2.34 Å) and one longer (2.60 Å) Ta(2)-Cd(1) bond length. Pd(1) is bonded in a distorted single-bond geometry to two equivalent Ta(1), two equivalent Ta(2), and one Cd(1) atom. The Pd(1)-Cd(1) bond length is 0.81 Å. Cd(1) is bonded in a single-bond geometry to two equivalent Ta(2) and one Pd(1) atom.