data_Ta2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   28.41
_cell_angle_beta   28.41
_cell_angle_gamma   28.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PPd
_chemical_formula_sum   'Ta2 P1 Pd1'
_cell_volume   69.18
_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  0.35  1.0
  Ta  Ta3  1  0.0  0.0  0.85  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.1  1.0

data_Ta2PPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   3.44
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2PPd
_chemical_formula_sum   'Ta4 P2 Pd2'
_cell_volume   138.36
_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  -0.0  0.0  0.65  1.0
  Ta  Ta1  2  -0.0  0.0  0.15  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  -0.0  0.0  0.9  1.0

Ta Ta P Pd
Ta Ta P Pd 0 3 o o o 1 2 o o + 2 3 o o o 
Ta2PdP is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ta2PdP clusters. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Pd(1) atom. The Ta(1)-Pd(1) bond length is 1.76 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one P(1) atom. The Ta(2)-P(1) bond length is 1.07 Å. Pd(1) is bonded in a linear geometry to one Ta(1) and one P(1) atom. The Pd(1)-P(1) bond length is 0.69 Å. P(1) is bonded in a linear geometry to one Ta(2) and one Pd(1) atom.