data_PuTeRu2
_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   PuTeRu2
_chemical_formula_sum   'Pu1 Te1 Ru2'
_cell_volume   74.22
_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  Pu0  1  0.34  0.34  0.34  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.67  0.67  0.67  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_PuTeRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PuTeRu2
_chemical_formula_sum   'Pu3 Te3 Ru6'
_cell_volume   222.66
_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  0.66  1.0
  Te  Te1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.33  1.0
  Ru  Ru3  3  0.0  0.0  1.0  1.0

Pu Te Ru Ru 0 3 o o + 0 3 o + o 0 3 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o + + 2 3 + o + 2 3 + + o 
PuRu2Te crystallizes in the trigonal R3m space group. Pu(1) is bonded in a 11-coordinate geometry to four equivalent Ru(1), four equivalent Ru(2), and three equivalent Te(1) atoms. There are three shorter (2.72 Å) and one longer (3.84 Å) Pu(1)-Ru(1) bond length. There are three shorter (2.72 Å) and one longer (3.84 Å) Pu(1)-Ru(2) bond length. All Pu(1)-Te(1) bond lengths are 2.72 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to four equivalent Pu(1) atoms. In the second Ru site, Ru(2) is bonded in a single-bond geometry to four equivalent Pu(1) and one Te(1) atom. The Ru(2)-Te(1) bond length is 0.04 Å. Te(1) is bonded in a single-bond geometry to three equivalent Pu(1) and one Ru(2) atom.