data_ZnHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2Cl
_chemical_formula_sum   'Zn1 Hg2 Cl1'
_cell_volume   98.83
_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  0.5  0.5  0.5  1.0
  Hg  Hg1  1  0.67  0.67  0.67  1.0
  Hg  Hg2  1  0.83  0.83  0.83  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZnHg2Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnHg2Cl
_chemical_formula_sum   'Zn3 Hg6 Cl3'
_cell_volume   296.48
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.5  1.0
  Hg  Hg1  3  0.0  0.0  0.17  1.0
  Hg  Hg2  3  0.0  0.0  0.33  1.0
  Cl  Cl3  3  0.0  0.0  -0.0  1.0

Zn Hg Hg Cl
Hg2ZnCl crystallizes in the trigonal R3m space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one Hg(2), one Zn(1), and three equivalent Cl(1) atoms to form HgZnHgCl3 trigonal bipyramids that share corners with six equivalent Hg(1)ZnHgCl3 trigonal bipyramids and corners with three equivalent Zn(1)Hg4 trigonal pyramids. The Hg(1)-Hg(2) bond length is 2.10 Å. The Hg(1)-Zn(1) bond length is 2.10 Å. All Hg(1)-Cl(1) bond lengths are 3.00 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Hg(1), three equivalent Zn(1), and one Cl(1) atom. All Hg(2)-Zn(1) bond lengths are 3.00 Å. The Hg(2)-Cl(1) bond length is 2.10 Å. Zn(1) is bonded to one Hg(1) and three equivalent Hg(2) atoms to form distorted ZnHg4 trigonal pyramids that share corners with three equivalent Hg(1)ZnHgCl3 trigonal bipyramids and corners with six equivalent Zn(1)Hg4 trigonal pyramids. Cl(1) is bonded in a distorted single-bond geometry to one Hg(2) and three equivalent Hg(1) atoms.