data_PuTaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuTaPd2
_chemical_formula_sum   'Pu1 Ta1 Pd2'
_cell_volume   71.24
_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
  Pu  Pu2  1  0.29  0.29  0.29  1.0
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.65  0.65  0.65  1.0
  Pd  Pd1  1  0.94  0.94  0.94  1.0

data_PuTaPd2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PuTaPd2
_chemical_formula_sum   'Pu3 Ta3 Pd6'
_cell_volume   213.71
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Pu  Pu0  3  0.0  0.0  0.71  1.0
  Ta  Ta1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.06  1.0
  Pd  Pd3  3  0.0  0.0  0.35  1.0

Pu Ta Pd Pd
Pu Ta Pd Pd 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 o - - 1 2 - o - 1 2 - - o 2 3 - o o 2 3 o - o 2 3 o o - 
PuTaPd2 crystallizes in the trigonal R3m space group. Pu(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), three equivalent Pd(1), and three equivalent Pd(2) atoms. There are three shorter (2.73 Å) and one longer (3.31 Å) Pu(1)-Ta(1) bond length. All Pu(1)-Pd(1) bond lengths are 2.70 Å. All Pu(1)-Pd(2) bond lengths are 2.70 Å. Ta(1) is bonded in a single-bond geometry to four equivalent Pu(1), one Pd(2), and three equivalent Pd(1) atoms. The Ta(1)-Pd(2) bond length is 0.74 Å. All Ta(1)-Pd(1) bond lengths are 2.70 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to three equivalent Pu(1) and three equivalent Ta(1) atoms. In the second Pd site, Pd(2) is bonded in a single-bond geometry to three equivalent Pu(1) and one Ta(1) atom.