data_PmPu2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmPu2Pd
_chemical_formula_sum   'Pm1 Pu2 Pd1'
_cell_volume   92.29
_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
  Pm  Pm1  1  0.59  0.59  0.59  1.0
  Pu  Pu2  1  0.38  0.38  0.38  1.0
  Pu  Pu3  1  0.79  0.79  0.79  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_PmPu2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PmPu2Pd
_chemical_formula_sum   'Pm3 Pu6 Pd3'
_cell_volume   276.86
_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
  Pm  Pm0  3  0.0  0.0  0.41  1.0
  Pu  Pu1  3  0.0  0.0  0.21  1.0
  Pu  Pu2  3  0.0  0.0  0.62  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Pm Pu Pu Pd
Pu2PmPd is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to one Pm(1) and three equivalent Pd(1) atoms to form distorted corner-sharing PuPmPd3 tetrahedra. The Pu(1)-Pm(1) bond length is 2.57 Å. All Pu(1)-Pd(1) bond lengths are 2.99 Å. In the second Pu site, Pu(2) is bonded in a 2-coordinate geometry to one Pm(1) and four equivalent Pd(1) atoms. The Pu(2)-Pm(1) bond length is 2.57 Å. There is one shorter (2.57 Å) and three longer (3.32 Å) Pu(2)-Pd(1) bond lengths. Pm(1) is bonded in a 5-coordinate geometry to one Pu(1), one Pu(2), and three equivalent Pd(1) atoms. All Pm(1)-Pd(1) bond lengths are 3.09 Å. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Pu(1), four equivalent Pu(2), and three equivalent Pm(1) atoms.