data_HgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.66
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgB
_chemical_formula_sum   'Hg2 B2'
_cell_volume   74.77
_cell_formula_units_Z   2
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  Hg2  1  0.0  0.0  0.36  1.0
  Hg  Hg3  1  0.85  0.33  0.97  1.0
  B  B0  1  0.0  0.0  0.52  1.0
  B  B1  1  0.85  0.33  0.81  1.0

data_HgB
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.7
_cell_length_b   4.33
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgB
_chemical_formula_sum   'Hg2 B2'
_cell_volume   74.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  0.69  0.33  1.0
  B  B1  2  0.07  0.86  0.33  1.0

Hg Hg B B
HgB crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two HgB clusters. Hg(1) is bonded in a single-bond geometry to one B(1) atom. The Hg(1)-B(1) bond length is 0.71 Å. B(1) is bonded in a distorted single-bond geometry to one Hg(1) atom.