data_HfHgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   20.13
_cell_angle_beta   20.13
_cell_angle_gamma   20.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHgRu2
_chemical_formula_sum   'Hf1 Hg1 Ru2'
_cell_volume   71.3
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.97  1.0
  Ru  Ru2  1  0.0  0.0  0.3  1.0
  Ru  Ru3  1  0.0  0.0  0.64  1.0

data_HfHgRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.09
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   101.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfHgRu2
_chemical_formula_sum   'Hf2 Hg2 Ru4'
_cell_volume   142.6
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.03  1.0
  Ru  Ru2  2  0.0  0.0  0.36  1.0
  Ru  Ru3  2  0.0  0.0  0.7  1.0

Hf Hg Ru Ru
HfRu2Hg crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Ru(1) and one Hg(1) atom. The Hf(1)-Ru(1) bond length is 2.66 Å. The Hf(1)-Hg(1) bond length is 0.26 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Hf(1) and one Ru(2) atom. The Ru(1)-Ru(2) bond length is 3.00 Å. In the second Ru site, Ru(2) is bonded to one Ru(1), six equivalent Ru(2), and one Hg(1) atom to form a mixture of distorted corner and edge-sharing RuHgRu7 hexagonal bipyramids. All Ru(2)-Ru(2) bond lengths are 3.09 Å. The Ru(2)-Hg(1) bond length is 2.92 Å. Hg(1) is bonded in a single-bond geometry to one Hf(1) and one Ru(2) atom.