data_ReSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiRu
_chemical_formula_sum   'Re1 Si1 Ru1'
_cell_volume   49.15
_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
  Re  Re0  1  0.45  0.45  0.45  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.91  0.91  0.91  1.0

data_ReSiRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReSiRu
_chemical_formula_sum   'Re3 Si3 Ru3'
_cell_volume   147.45
_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  3  0.0  0.0  0.0  1.0
  Re  Re1  3  0.0  0.0  0.55  1.0
  Ru  Ru2  3  0.0  0.0  0.09  1.0

Re Si Ru
Re Si Ru 0 2 - - o 0 2 - o - 0 2 - o o 0 2 o - - 0 2 o - o 0 2 o o - 0 1 o o + 0 1 o + o 0 1 o + + 0 1 + o o 0 1 + o + 0 1 + + o 1 2 - - - 
ReRuSi crystallizes in the trigonal R3m space group. Re(1) is bonded in a 6-coordinate geometry to three equivalent Ru(1) and three equivalent Si(1) atoms. All Re(1)-Ru(1) bond lengths are 2.67 Å. All Re(1)-Si(1) bond lengths are 2.67 Å. Ru(1) is bonded in a single-bond geometry to three equivalent Re(1) and one Si(1) atom. The Ru(1)-Si(1) bond length is 0.93 Å. Si(1) is bonded in a single-bond geometry to three equivalent Re(1) and one Ru(1) atom.