data_ReHgRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgRu4
_chemical_formula_sum   'Re1 Hg1 Ru4'
_cell_volume   93.94
_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  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.8  0.8  0.8  1.0
  Ru  Ru2  1  0.71  0.51  0.71  1.0
  Ru  Ru3  1  0.51  0.71  0.71  1.0
  Ru  Ru4  1  0.51  0.51  0.51  1.0
  Ru  Ru5  1  0.71  0.71  0.51  1.0

data_ReHgRu4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReHgRu4
_chemical_formula_sum   'Re3 Hg3 Ru12'
_cell_volume   281.82
_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  3  0.0  0.0  0.0  1.0
  Hg  Hg1  3  0.0  0.0  0.2  1.0
  Ru  Ru2  9  0.13  0.07  0.36  1.0
  Ru  Ru3  3  0.0  0.0  0.49  1.0

Re Hg Ru Ru Ru Ru
ReRu4Hg crystallizes in the trigonal R3m space group. Re(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent Ru(1) and one Hg(1) atom. All Re(1)-Ru(1) bond lengths are 2.39 Å. The Re(1)-Hg(1) bond length is 2.45 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(2) is bonded in a 6-coordinate geometry to three equivalent Ru(1) and three equivalent Hg(1) atoms. All Ru(2)-Ru(1) bond lengths are 1.73 Å. All Ru(2)-Hg(1) bond lengths are 2.99 Å. In the second Ru site, Ru(1) is bonded in a 5-coordinate geometry to one Re(1), one Ru(2), two equivalent Ru(1), and one Hg(1) atom. Both Ru(1)-Ru(1) bond lengths are 1.00 Å. The Ru(1)-Hg(1) bond length is 2.12 Å. Hg(1) is bonded in a 7-coordinate geometry to one Re(1), three equivalent Ru(1), and three equivalent Ru(2) atoms.