data_HgRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   144.97
_cell_angle_beta   131.16
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRuW2
_chemical_formula_sum   'Hg1 Ru1 W2'
_cell_volume   66.24
_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
  Hg  Hg0  1  0.0  0.0  0.62  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.22  0.41  1.0
  W  W3  1  0.62  0.0  0.2  1.0

data_HgRuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.44
_cell_length_c   5.37
_cell_angle_alpha   114.42
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRuW2
_chemical_formula_sum   'Hg1 Ru1 W2'
_cell_volume   66.24
_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
  Hg  Hg0  1  0.0  0.62  0.62  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.2  0.59  1.0
  W  W3  1  0.78  0.19  0.19  1.0

Hg Ru W W
Hg Ru W W 0 2 o o o 0 3 - o o 0 1 o o + 1 2 o o o 2 3 - o o 
W2RuHg crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to two equivalent Ru(1) and one Hg(1) atom. There is one shorter (1.41 Å) and one longer (2.42 Å) W(1)-Ru(1) bond length. The W(1)-Hg(1) bond length is 2.18 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Ru(1) and two equivalent Hg(1) atoms. The W(2)-Ru(1) bond length is 2.72 Å. There is one shorter (1.77 Å) and one longer (2.68 Å) W(2)-Hg(1) bond length. Ru(1) is bonded in a 4-coordinate geometry to one W(2), two equivalent W(1), and one Hg(1) atom. The Ru(1)-Hg(1) bond length is 2.07 Å. Hg(1) is bonded in a 4-coordinate geometry to one W(1), two equivalent W(2), and one Ru(1) atom.