data_TaSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSnPd2
_chemical_formula_sum   'Ta1 Sn1 Pd2'
_cell_volume   70.04
_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  0.63  0.63  0.11  1.0
  Sn  Sn2  1  0.0  0.0  0.17  1.0
  Pd  Pd0  1  0.0  0.0  0.56  1.0
  Pd  Pd1  1  0.63  0.63  0.69  1.0

data_TaSnPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSnPd2
_chemical_formula_sum   'Ta2 Sn2 Pd4'
_cell_volume   140.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.13  0.5  0.11  1.0
  Sn  Sn1  2  0.0  0.0  0.17  1.0
  Pd  Pd2  2  0.0  0.0  0.56  1.0
  Pd  Pd3  2  0.13  0.5  0.69  1.0

Ta Sn Pd Pd
Ta Sn Pd Pd 0 1 + + o 2 3 - - o 
TaPd2Sn crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 5-coordinate geometry to one Pd(2) and four equivalent Sn(1) atoms. The Ta(1)-Pd(2) bond length is 2.80 Å. There are a spread of Ta(1)-Sn(1) bond distances ranging from 1.75-2.91 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to one Pd(2) and one Sn(1) atom. The Pd(1)-Pd(2) bond length is 1.91 Å. The Pd(1)-Sn(1) bond length is 2.61 Å. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Pd(1) atom. Sn(1) is bonded in a 5-coordinate geometry to four equivalent Ta(1) and one Pd(1) atom.