data_PuTlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuTlCo2
_chemical_formula_sum   'Pu1 Tl1 Co2'
_cell_volume   64.15
_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
  Pu  Pu2  1  0.18  0.18  0.18  1.0
  Tl  Tl3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.77  0.77  0.77  1.0
  Co  Co1  1  0.59  0.59  0.59  1.0

data_PuTlCo2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PuTlCo2
_chemical_formula_sum   'Pu3 Tl3 Co6'
_cell_volume   192.46
_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
  Pu  Pu0  3  0.0  0.0  0.82  1.0
  Tl  Tl1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.23  1.0
  Co  Co3  3  0.0  0.0  0.41  1.0

Pu Tl Co Co
Pu Tl Co Co 0 1 o o o 2 3 o o o 
PuCo2Tl crystallizes in the trigonal R3m space group. Pu(1) is bonded in a 1-coordinate geometry to three equivalent Co(1), three equivalent Co(2), and one Tl(1) atom. All Pu(1)-Co(1) bond lengths are 2.73 Å. All Pu(1)-Co(2) bond lengths are 2.73 Å. The Pu(1)-Tl(1) bond length is 1.95 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to three equivalent Pu(1), one Co(2), and four equivalent Tl(1) atoms. The Co(1)-Co(2) bond length is 1.95 Å. There is one shorter (2.58 Å) and three longer (2.82 Å) Co(1)-Tl(1) bond lengths. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to three equivalent Pu(1), one Co(1), and three equivalent Tl(1) atoms. All Co(2)-Tl(1) bond lengths are 2.73 Å. Tl(1) is bonded in a distorted single-bond geometry to one Pu(1), three equivalent Co(2), and four equivalent Co(1) atoms.