data_NdNp2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNp2Au
_chemical_formula_sum   'Nd1 Np2 Au1'
_cell_volume   98.66
_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  Nd1  1  0.0  0.0  0.0  1.0
  Np  Np2  1  0.83  0.83  0.83  1.0
  Np  Np3  1  0.5  0.5  0.5  1.0
  Au  Au0  1  0.67  0.67  0.67  1.0

data_NdNp2Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NdNp2Au
_chemical_formula_sum   'Nd3 Np6 Au3'
_cell_volume   295.98
_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  0.0  1.0
  Np  Np1  3  0.0  0.0  0.17  1.0
  Np  Np2  3  0.0  0.0  0.5  1.0
  Au  Au3  3  0.0  0.0  0.33  1.0

Nd Np Np Au
Nd Np Np Au 0 1 - - - 1 3 o o o 2 3 o o o 
Np2NdAu crystallizes in the trigonal R3m space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded in a distorted linear geometry to one Nd(1) and one Au(1) atom. The Np(1)-Nd(1) bond length is 2.11 Å. The Np(1)-Au(1) bond length is 2.11 Å. In the second Np site, Np(2) is bonded in a single-bond geometry to one Au(1) atom. The Np(2)-Au(1) bond length is 2.11 Å. Nd(1) is bonded to one Np(1) and three equivalent Au(1) atoms to form NdNpAu3 trigonal pyramids that share  a cornercorner with one Au(1)Nd3Np2 trigonal bipyramid and corners with six equivalent Nd(1)NpAu3 trigonal pyramids. All Nd(1)-Au(1) bond lengths are 2.99 Å. Au(1) is bonded to one Np(1), one Np(2), and three equivalent Nd(1) atoms to form distorted AuNd3Np2 trigonal bipyramids that share corners with six equivalent Au(1)Nd3Np2 trigonal bipyramids and  a cornercorner with one Nd(1)NpAu3 trigonal pyramid.