data_Hg2BiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiRu
_chemical_formula_sum   'Hg2 Bi1 Ru1'
_cell_volume   87.26
_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  Hg1  1  0.42  0.78  0.73  1.0
  Hg  Hg2  1  0.42  0.22  0.73  1.0
  Bi  Bi0  1  0.83  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Hg2BiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   115.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiRu
_chemical_formula_sum   'Hg2 Bi1 Ru1'
_cell_volume   87.26
_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  0.73  0.42  0.22  1.0
  Hg  Hg1  1  0.73  0.42  0.78  1.0
  Bi  Bi2  1  0.0  0.83  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hg Hg Bi Ru
RuHg2Bi crystallizes in the triclinic P1 space group. Ru(1) is bonded in a distorted single-bond geometry to one Hg(1), one Hg(2), and one Bi(1) atom. The Ru(1)-Hg(1) bond length is 3.05 Å. The Ru(1)-Hg(2) bond length is 2.22 Å. The Ru(1)-Bi(1) bond length is 0.87 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Ru(1), two equivalent Hg(2), and two equivalent Bi(1) atoms. There is one shorter (2.37 Å) and one longer (2.90 Å) Hg(1)-Hg(2) bond length. There is one shorter (2.22 Å) and one longer (3.23 Å) Hg(1)-Bi(1) bond length. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Ru(1) and two equivalent Hg(1) atoms. Bi(1) is bonded in a distorted single-bond geometry to one Ru(1) and two equivalent Hg(1) atoms.