data_Si4PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si4PdRu
_chemical_formula_sum   'Si4 Pd1 Ru1'
_cell_volume   83.16
_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
  Si  Si2  1  0.33  0.33  0.6  1.0
  Si  Si3  1  0.33  0.6  0.33  1.0
  Si  Si4  1  0.6  0.33  0.33  1.0
  Si  Si5  1  0.6  0.6  0.6  1.0
  Pd  Pd0  1  0.2  0.2  0.2  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Si4PdRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   12.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Si4PdRu
_chemical_formula_sum   'Si12 Pd3 Ru3'
_cell_volume   249.49
_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
  Si  Si0  9  0.09  0.18  0.58  1.0
  Si  Si1  3  0.0  0.0  0.4  1.0
  Ru  Ru2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.8  1.0

Si Si Si Si Pd Ru
RuPdSi4 crystallizes in the trigonal R3m space group. Ru(1) is bonded in a 3-coordinate geometry to one Pd(1), three equivalent Si(1), and three equivalent Si(2) atoms. The Ru(1)-Pd(1) bond length is 2.36 Å. All Ru(1)-Si(1) bond lengths are 2.33 Å. All Ru(1)-Si(2) bond lengths are 2.95 Å. Pd(1) is bonded in a 10-coordinate geometry to one Ru(1), three equivalent Si(2), and six equivalent Si(1) atoms. All Pd(1)-Si(2) bond lengths are 2.94 Å. There are three shorter (2.46 Å) and three longer (2.79 Å) Pd(1)-Si(1) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one Ru(1), two equivalent Pd(1), one Si(2), and two equivalent Si(1) atoms. The Si(1)-Si(2) bond length is 2.24 Å. Both Si(1)-Si(1) bond lengths are 1.29 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Ru(1), three equivalent Pd(1), and three equivalent Si(1) atoms.