data_LuNp2U
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNp2U
_chemical_formula_sum   'Lu1 Np2 U1'
_cell_volume   95.4
_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
  Lu  Lu0  1  0.0  0.0  0.0  1.0
  Np  Np1  1  0.44  0.44  0.44  1.0
  Np  Np2  1  0.81  0.81  0.81  1.0
  U  U3  1  0.63  0.63  0.63  1.0

data_LuNp2U
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LuNp2U
_chemical_formula_sum   'Lu3 Np6 U3'
_cell_volume   286.2
_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
  Lu  Lu0  3  0.0  0.0  0.0  1.0
  Np  Np1  3  0.0  0.0  0.19  1.0
  Np  Np2  3  0.0  0.0  0.56  1.0
  U  U3  3  0.0  0.0  0.37  1.0

Lu Np Np U
Lu Np Np U 0 2 - - - 0 3 - - o 0 3 - o - 0 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 1 3 o o o 2 3 o o o 
Np2ULu 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 single-bond geometry to one U(1) atom. The Np(1)-U(1) bond length is 2.35 Å. In the second Np site, Np(2) is bonded in a distorted linear geometry to one U(1) and one Lu(1) atom. The Np(2)-U(1) bond length is 2.35 Å. The Np(2)-Lu(1) bond length is 2.35 Å. U(1) is bonded in a 5-coordinate geometry to one Np(1), one Np(2), and three equivalent Lu(1) atoms. All U(1)-Lu(1) bond lengths are 3.00 Å. Lu(1) is bonded in a 1-coordinate geometry to one Np(2) and three equivalent U(1) atoms.