data_Zn2HgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgB
_chemical_formula_sum   'Zn2 Hg1 B1'
_cell_volume   61.44
_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
  Zn  Zn2  1  0.97  0.0  0.97  1.0
  Zn  Zn3  1  0.0  0.97  0.97  1.0
  Hg  Hg1  1  0.97  0.97  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Zn2HgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2HgB
_chemical_formula_sum   'Zn4 Hg2 B2'
_cell_volume   122.87
_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
  Zn  Zn0  4  0.49  0.49  0.97  1.0
  Hg  Hg1  2  0.47  0.5  -0.0  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Zn Zn Hg B
Zn Zn Hg B 0 1 + - o 0 2 o - + 0 3 + o + 1 2 - o + 1 3 o + + 2 3 + + o 
HgZn2B is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HgZn2B clusters. Hg(1) is bonded in a 3-coordinate geometry to two equivalent Zn(1) and one B(1) atom. Both Hg(1)-Zn(1) bond lengths are 0.16 Å. The Hg(1)-B(1) bond length is 0.14 Å. Zn(1) is bonded in a 3-coordinate geometry to one Hg(1), one Zn(1), and one B(1) atom. The Zn(1)-Zn(1) bond length is 0.14 Å. The Zn(1)-B(1) bond length is 0.16 Å. B(1) is bonded in a 3-coordinate geometry to one Hg(1) and two equivalent Zn(1) atoms.