data_ZnCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Hg
_chemical_formula_sum   'Zn1 Cd2 Hg1'
_cell_volume   85.73
_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
  Cd  Cd0  1  0.56  0.19  0.57  1.0
  Cd  Cd1  1  0.56  0.81  0.57  1.0
  Hg  Hg2  1  0.11  0.0  0.0  1.0

data_ZnCd2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   109.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Hg
_chemical_formula_sum   'Zn1 Cd2 Hg1'
_cell_volume   85.73
_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  Zn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.57  0.56  0.19  1.0
  Cd  Cd2  1  0.57  0.56  0.81  1.0
  Hg  Hg3  1  0.0  0.11  0.0  1.0

Zn Cd Cd Hg
HgCd2Zn crystallizes in the triclinic P1 space group. Hg(1) is bonded in a single-bond geometry to two equivalent Cd(1), two equivalent Cd(2), and one Zn(1) atom. There is one shorter (2.64 Å) and one longer (2.89 Å) Hg(1)-Cd(1) bond length. There is one shorter (3.19 Å) and one longer (3.40 Å) Hg(1)-Cd(2) bond length. The Hg(1)-Zn(1) bond length is 0.61 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and two equivalent Cd(2) atoms. There is one shorter (2.06 Å) and one longer (3.32 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent Hg(1), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Zn(1) atoms. Both Cd(2)-Cd(2) bond lengths are 3.14 Å. There is one shorter (2.64 Å) and one longer (2.89 Å) Cd(2)-Zn(1) bond length. Zn(1) is bonded in a single-bond geometry to one Hg(1) and two equivalent Cd(2) atoms.