data_LuNpCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNpCu2
_chemical_formula_sum   'Lu1 Np1 Cu2'
_cell_volume   74.23
_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  Lu2  1  0.0  0.0  0.0  1.0
  Np  Np3  1  0.34  0.34  0.34  1.0
  Cu  Cu0  1  0.67  0.67  0.67  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0

data_LuNpCu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   11.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LuNpCu2
_chemical_formula_sum   'Lu3 Np3 Cu6'
_cell_volume   222.69
_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  0.66  1.0
  Cu  Cu2  3  0.0  0.0  0.33  1.0
  Cu  Cu3  3  0.0  0.0  1.0  1.0

NpLuCu2 crystallizes in the trigonal R3m space group. Np(1) is bonded in a 11-coordinate geometry to three equivalent Lu(1), four equivalent Cu(1), and four equivalent Cu(2) atoms. All Np(1)-Lu(1) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.84 Å) Np(1)-Cu(1) bond length. There are three shorter (2.72 Å) and one longer (3.84 Å) Np(1)-Cu(2) bond length. Lu(1) is bonded in a single-bond geometry to three equivalent Np(1) and one Cu(2) atom. The Lu(1)-Cu(2) bond length is 0.04 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to four equivalent Np(1) atoms. In the second Cu site, Cu(2) is bonded in a single-bond geometry to four equivalent Np(1) and one Lu(1) atom.