data_Zn2HgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgBr
_chemical_formula_sum   'Zn2 Hg1 Br1'
_cell_volume   94.67
_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  0.0  0.0  0.36  1.0
  Zn  Zn3  1  0.68  0.68  0.95  1.0
  Hg  Hg1  1  0.68  0.68  0.76  1.0
  Br  Br0  1  0.0  0.0  0.53  1.0

data_Zn2HgBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2HgBr
_chemical_formula_sum   'Zn4 Hg2 Br2'
_cell_volume   189.34
_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  2  0.0  0.0  0.36  1.0
  Zn  Zn1  2  0.18  0.5  0.95  1.0
  Hg  Hg2  2  0.18  0.5  0.76  1.0
  Br  Br3  2  0.0  0.0  0.53  1.0

Zn Zn Hg Br
Zn Zn Hg Br 0 3 o o o 1 2 o o o 
HgZn2Br is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HgZn2Br clusters. Hg(1) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one Br(1) atom. The Hg(1)-Zn(2) bond length is 1.61 Å. The Hg(1)-Br(1) bond length is 2.43 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Br(1) atom. The Zn(1)-Br(1) bond length is 1.45 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Hg(1) atom. Br(1) is bonded in a distorted single-bond geometry to one Hg(1) and one Zn(1) atom.