data_HgBSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBSe2
_chemical_formula_sum   'Hg1 B1 Se2'
_cell_volume   71.89
_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  0.77  0.0  0.69  1.0
  B  B0  1  0.0  0.0  0.69  1.0
  Se  Se2  1  0.0  0.0  0.02  1.0
  Se  Se3  1  0.77  0.0  0.23  1.0

data_HgBSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBSe2
_chemical_formula_sum   'Hg1 B1 Se2'
_cell_volume   71.89
_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  Hg0  1  0.77  0.0  0.69  1.0
  B  B1  1  0.0  0.0  0.69  1.0
  Se  Se2  1  0.0  0.0  0.02  1.0
  Se  Se3  1  0.77  0.0  0.23  1.0

Hg B Se Se
HgB(Se)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one diselenium molecule and one HgB cluster. In the HgB cluster, Hg(1) is bonded in a distorted single-bond geometry to one B(1) atom. The Hg(1)-B(1) bond length is 0.64 Å. B(1) is bonded in a distorted single-bond geometry to one Hg(1) atom.