data_ZnSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.1
_cell_length_b   10.1
_cell_length_c   10.1
_cell_angle_alpha   19.33
_cell_angle_beta   19.33
_cell_angle_gamma   19.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Hg
_chemical_formula_sum   'Zn1 Sn2 Hg1'
_cell_volume   98.62
_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  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.63  1.0
  Sn  Sn2  1  0.0  0.0  0.09  1.0
  Hg  Hg0  1  0.0  0.0  0.86  1.0

data_ZnSn2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSn2Hg
_chemical_formula_sum   'Zn2 Sn4 Hg2'
_cell_volume   197.25
_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  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.37  1.0
  Sn  Sn2  2  0.0  0.0  0.91  1.0
  Hg  Hg3  2  0.0  0.0  0.14  1.0

Zn Sn Sn Hg
Zn Sn Sn Hg 0 2 o o o 0 3 o o - 1 3 o o o 
HgZnSn2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HgZnSn2 clusters. Hg(1) is bonded in a distorted single-bond geometry to one Zn(1) and one Sn(1) atom. The Hg(1)-Zn(1) bond length is 1.41 Å. The Hg(1)-Sn(1) bond length is 2.34 Å. Zn(1) is bonded in a linear geometry to one Hg(1) and one Sn(2) atom. The Zn(1)-Sn(2) bond length is 0.92 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Hg(1) atom. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Zn(1) atom.