data_ZrZn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   18.46
_cell_angle_beta   18.46
_cell_angle_gamma   18.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Hg
_chemical_formula_sum   'Zr1 Zn2 Hg1'
_cell_volume   79.6
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.15  1.0
  Zn  Zn2  1  0.0  0.0  0.41  1.0
  Hg  Hg0  1  0.0  0.0  0.28  1.0

data_ZrZn2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   3.11
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrZn2Hg
_chemical_formula_sum   'Zr2 Zn4 Hg2'
_cell_volume   159.19
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.59  1.0
  Zn  Zn2  2  0.0  0.0  0.85  1.0
  Hg  Hg3  2  0.0  0.0  0.72  1.0

Zr Zn Zn Hg
Zr Zn Zn Hg 0 1 o o o 1 3 o o o 2 3 o o o 
ZrHgZn2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrHgZn2 clusters. Zr(1) is bonded in a single-bond geometry to one Zn(1) atom. The Zr(1)-Zn(1) bond length is 1.44 Å. Hg(1) is bonded in a linear geometry to one Zn(1) and one Zn(2) atom. The Hg(1)-Zn(1) bond length is 1.28 Å. The Hg(1)-Zn(2) bond length is 1.28 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a linear geometry to one Zr(1) and one Hg(1) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Hg(1) atom.