data_CdHgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   149.85
_cell_angle_beta   149.85
_cell_angle_gamma   43.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgB
_chemical_formula_sum   'Cd1 Hg1 B1'
_cell_volume   54.86
_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
  Cd  Cd1  1  0.0  0.0  0.1  1.0
  Hg  Hg2  1  0.0  0.0  0.97  1.0
  B  B0  1  0.0  0.0  0.12  1.0

data_CdHgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   111.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdHgB
_chemical_formula_sum   'Cd2 Hg2 B2'
_cell_volume   109.71
_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
  Cd  Cd0  2  0.0  0.0  0.9  1.0
  Hg  Hg1  2  0.0  0.0  0.03  1.0
  B  B2  2  0.0  0.0  0.88  1.0

Cd Hg B
Cd Hg B 0 2 o o o 0 1 o o - 1 2 o o + 
HgCdB is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HgCdB clusters. Hg(1) is bonded in a single-bond geometry to one Cd(1) atom. The Hg(1)-Cd(1) bond length is 0.82 Å. Cd(1) is bonded in a linear geometry to one Hg(1) and one B(1) atom. The Cd(1)-B(1) bond length is 0.13 Å. B(1) is bonded in a single-bond geometry to one Cd(1) atom.