data_Re4HgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4HgRu
_chemical_formula_sum   'Re4 Hg1 Ru1'
_cell_volume   99.82
_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  Re1  1  0.77  0.77  0.6  1.0
  Re  Re2  1  0.77  0.6  0.77  1.0
  Re  Re3  1  0.6  0.77  0.77  1.0
  Re  Re4  1  0.6  0.6  0.6  1.0
  Hg  Hg0  1  0.84  0.84  0.84  1.0
  Ru  Ru5  1  0.0  0.0  0.0  1.0

data_Re4HgRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re4HgRu
_chemical_formula_sum   'Re12 Hg3 Ru3'
_cell_volume   299.46
_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
  Re  Re0  9  0.11  0.06  0.29  1.0
  Re  Re1  3  0.0  0.0  0.4  1.0
  Hg  Hg2  3  0.0  0.0  0.16  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

Re Re Re Re Hg Ru
Re Re Re Re Hg Ru 0 1 o o o 0 2 o o o 0 3 o o o 0 4 o o o 0 5 + + o 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + o + 2 3 o o o 2 4 o o o 2 5 o + + 4 5 + + + 
Re4RuHg crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to one Re(2), two equivalent Re(1), one Ru(1), and one Hg(1) atom. The Re(1)-Re(2) bond length is 1.51 Å. Both Re(1)-Re(1) bond lengths are 0.87 Å. The Re(1)-Ru(1) bond length is 2.56 Å. The Re(1)-Hg(1) bond length is 1.75 Å. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Hg(1) atoms. All Re(2)-Hg(1) bond lengths are 3.22 Å. Ru(1) is bonded in a distorted tetrahedral geometry to three equivalent Re(1) and one Hg(1) atom. The Ru(1)-Hg(1) bond length is 2.03 Å. Hg(1) is bonded in a 4-coordinate geometry to three equivalent Re(1), three equivalent Re(2), and one Ru(1) atom.