data_ZnCu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Hg
_chemical_formula_sum   'Zn1 Cu2 Hg1'
_cell_volume   60.2
_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
  Cu  Cu0  1  0.44  0.72  0.52  1.0
  Cu  Cu1  1  0.44  0.28  0.52  1.0
  Hg  Hg2  1  0.88  0.0  0.0  1.0

data_ZnCu2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   100.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Hg
_chemical_formula_sum   'Zn1 Cu2 Hg1'
_cell_volume   60.2
_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
  Cu  Cu1  1  0.52  0.44  0.28  1.0
  Cu  Cu2  1  0.52  0.44  0.72  1.0
  Hg  Hg3  1  0.0  0.88  0.0  1.0

Zn Cu Cu Hg
Cu2HgZn crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Hg(1), and two equivalent Zn(1) atoms. Both Cu(1)-Cu(1) bond lengths are 3.04 Å. There is one shorter (1.97 Å) and one longer (2.51 Å) Cu(1)-Cu(2) bond length. There is one shorter (2.60 Å) and one longer (2.66 Å) Cu(1)-Hg(1) bond length. There is one shorter (2.91 Å) and one longer (2.97 Å) Cu(1)-Zn(1) bond length. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Hg(1), and two equivalent Zn(1) atoms. Both Cu(2)-Cu(2) bond lengths are 3.04 Å. There is one shorter (2.91 Å) and one longer (2.97 Å) Cu(2)-Hg(1) bond length. There is one shorter (2.60 Å) and one longer (2.66 Å) Cu(2)-Zn(1) bond length. Hg(1) is bonded in a single-bond geometry to two equivalent Cu(1), two equivalent Cu(2), and one Zn(1) atom. The Hg(1)-Zn(1) bond length is 0.54 Å. Zn(1) is bonded in a single-bond geometry to two equivalent Cu(1), two equivalent Cu(2), and one Hg(1) atom.