data_PuSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuSi2Ru
_chemical_formula_sum   'Pu1 Si2 Ru1'
_cell_volume   65.58
_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  0.2  0.2  0.2  1.0
  Si  Si2  1  0.6  0.6  0.6  1.0
  Si  Si3  1  0.8  0.8  0.8  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_PuSi2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PuSi2Ru
_chemical_formula_sum   'Pu3 Si6 Ru3'
_cell_volume   196.74
_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  0.8  1.0
  Si  Si1  3  0.0  0.0  0.2  1.0
  Si  Si2  3  0.0  0.0  0.4  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

Pu Si Si Ru
PuRuSi2 crystallizes in the trigonal R3m space group. Pu(1) is bonded in a 1-coordinate geometry to one Ru(1), three equivalent Si(1), and three equivalent Si(2) atoms. The Pu(1)-Ru(1) bond length is 2.23 Å. All Pu(1)-Si(1) bond lengths are 2.71 Å. All Pu(1)-Si(2) bond lengths are 2.71 Å. Ru(1) is bonded in a 2-coordinate geometry to one Pu(1), one Si(2), and three equivalent Si(1) atoms. The Ru(1)-Si(2) bond length is 2.21 Å. All Ru(1)-Si(1) bond lengths are 2.71 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to three equivalent Pu(1), three equivalent Ru(1), and one Si(2) atom to form distorted edge-sharing SiPu3SiRu3 hexagonal pyramids. The Si(1)-Si(2) bond length is 2.23 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to three equivalent Pu(1), one Ru(1), and one Si(1) atom.