data_LuPu2Zn
_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   LuPu2Zn
_chemical_formula_sum   'Lu1 Pu2 Zn1'
_cell_volume   96.57
_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  0.64  0.64  0.64  1.0
  Pu  Pu1  1  0.82  0.82  0.82  1.0
  Pu  Pu2  1  0.46  0.46  0.46  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_LuPu2Zn
_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   LuPu2Zn
_chemical_formula_sum   'Lu3 Pu6 Zn3'
_cell_volume   289.71
_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  0.36  1.0
  Pu  Pu1  3  0.0  0.0  0.18  1.0
  Pu  Pu2  3  0.0  0.0  0.54  1.0
  Zn  Zn3  3  0.0  0.0  -0.0  1.0

Lu Pu Pu Zn
Pu2LuZn crystallizes in the trigonal R3m space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a distorted linear geometry to three equivalent Pu(2), one Lu(1), and one Zn(1) atom. All Pu(1)-Pu(2) bond lengths are 2.99 Å. The Pu(1)-Lu(1) bond length is 2.26 Å. The Pu(1)-Zn(1) bond length is 2.26 Å. In the second Pu site, Pu(2) is bonded in a 7-coordinate geometry to three equivalent Pu(1), one Lu(1), and three equivalent Zn(1) atoms. The Pu(2)-Lu(1) bond length is 2.26 Å. All Pu(2)-Zn(1) bond lengths are 3.39 Å. Lu(1) is bonded to one Pu(1), one Pu(2), and three equivalent Zn(1) atoms to form corner-sharing LuPu2Zn3 trigonal bipyramids. All Lu(1)-Zn(1) bond lengths are 2.99 Å. Zn(1) is bonded in a 1-coordinate geometry to one Pu(1), three equivalent Pu(2), and three equivalent Lu(1) atoms.