data_Nd2UPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2UPd
_chemical_formula_sum   'Nd2 U1 Pd1'
_cell_volume   96.48
_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
  Nd  Nd0  1  0.46  0.46  0.46  1.0
  Nd  Nd1  1  0.82  0.82  0.82  1.0
  U  U3  1  0.64  0.64  0.64  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Nd2UPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nd2UPd
_chemical_formula_sum   'Nd6 U3 Pd3'
_cell_volume   289.43
_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
  Nd  Nd0  3  0.0  0.0  0.18  1.0
  Nd  Nd1  3  0.0  0.0  0.54  1.0
  U  U2  3  0.0  0.0  0.36  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Nd Nd U Pd
UNd2Pd crystallizes in the trigonal R3m space group. U(1) is bonded to one Nd(1), one Nd(2), and three equivalent Pd(1) atoms to form distorted corner-sharing UNd2Pd3 trigonal bipyramids. The U(1)-Nd(1) bond length is 2.27 Å. The U(1)-Nd(2) bond length is 2.27 Å. All U(1)-Pd(1) bond lengths are 2.99 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 1-coordinate geometry to one U(1) atom. In the second Nd site, Nd(2) is bonded in a linear geometry to one U(1) and one Pd(1) atom. The Nd(2)-Pd(1) bond length is 2.27 Å. Pd(1) is bonded in a distorted single-bond geometry to three equivalent U(1) and one Nd(2) atom.