data_Re2HgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2HgRu
_chemical_formula_sum   'Re2 Hg1 Ru1'
_cell_volume   63.92
_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  0.39  0.39  0.43  1.0
  Re  Re2  1  0.39  0.39  0.87  1.0
  Hg  Hg0  1  0.0  0.0  0.15  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Re2HgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2HgRu
_chemical_formula_sum   'Re4 Hg2 Ru2'
_cell_volume   127.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.39  0.0  0.43  1.0
  Re  Re1  2  0.39  0.0  0.87  1.0
  Hg  Hg2  2  0.0  0.0  0.15  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Re Re Hg Ru
Re Re Hg Ru 0 2 o o o 0 2 o + o 0 2 + o o 0 0 + o o 0 0 o + o 1 3 o o + 1 3 o + + 1 3 + o + 2 3 o o o 
Re2RuHg crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to one Re(2), four equivalent Re(1), and four equivalent Hg(1) atoms. The Re(1)-Re(2) bond length is 3.62 Å. All Re(1)-Re(1) bond lengths are 2.77 Å. There are a spread of Re(1)-Hg(1) bond distances ranging from 2.79-3.36 Å. In the second Re site, Re(2) is bonded in a 1-coordinate geometry to one Re(1) and one Ru(1) atom. The Re(2)-Ru(1) bond length is 1.87 Å. Ru(1) is bonded in a 2-coordinate geometry to one Re(2) and one Hg(1) atom. The Ru(1)-Hg(1) bond length is 1.26 Å. Hg(1) is bonded in a single-bond geometry to four equivalent Re(1) and one Ru(1) atom.