data_HgBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBRu2
_chemical_formula_sum   'Hg1 B1 Ru2'
_cell_volume   54.89
_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  0.0  0.0  0.52  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.4  0.4  0.82  1.0
  Ru  Ru3  1  0.4  0.4  0.23  1.0

data_HgBRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgBRu2
_chemical_formula_sum   'Hg2 B2 Ru4'
_cell_volume   109.78
_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
  Hg  Hg0  2  0.0  0.0  0.52  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.4  0.0  0.23  1.0
  Ru  Ru3  2  0.4  0.0  0.82  1.0

Hg B Ru Ru
Ru2HgB crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to four equivalent Hg(1) and four equivalent B(1) atoms. There are a spread of Ru(1)-Hg(1) bond distances ranging from 2.59-3.16 Å. There are a spread of Ru(1)-B(1) bond distances ranging from 2.02-2.71 Å. In the second Ru site, Ru(2) is bonded in a 12-coordinate geometry to four equivalent Ru(2), four equivalent Hg(1), and four equivalent B(1) atoms. All Ru(2)-Ru(2) bond lengths are 2.79 Å. There are a spread of Ru(2)-Hg(1) bond distances ranging from 2.59-3.16 Å. There are a spread of Ru(2)-B(1) bond distances ranging from 2.25-2.89 Å. Hg(1) is bonded to four equivalent Ru(1), four equivalent Ru(2), and four equivalent Hg(1) atoms to form a mixture of distorted face and corner-sharing HgHg4Ru8 cuboctahedra. All Hg(1)-Hg(1) bond lengths are 2.79 Å. B(1) is bonded in a 8-coordinate geometry to four equivalent Ru(1) and four equivalent Ru(2) atoms.