data_ZnHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.67
_cell_angle_alpha   108.61
_cell_angle_beta   108.61
_cell_angle_gamma   108.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgAs2
_chemical_formula_sum   'Zn1 Hg1 As2'
_cell_volume   85.41
_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
  Hg  Hg2  1  0.8  0.0  0.0  1.0
  As  As0  1  0.12  0.95  0.96  1.0
  As  As1  1  0.12  0.05  0.96  1.0

data_ZnHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   108.63
_cell_angle_beta   108.61
_cell_angle_gamma   108.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgAs2
_chemical_formula_sum   'Zn1 Hg1 As2'
_cell_volume   85.41
_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
  Hg  Hg1  1  0.0  0.8  0.0  1.0
  As  As2  1  0.96  0.12  0.95  1.0
  As  As3  1  0.96  0.12  0.05  1.0

Zn Hg As As
Zn Hg As As 0 2 o - - 0 3 o o - 0 1 - o o 2 3 o + o 
HgZnAs2 is Tungsten structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HgZnAs2 cluster. Hg(1) is bonded in a single-bond geometry to one Zn(1) atom. The Hg(1)-Zn(1) bond length is 0.96 Å. Zn(1) is bonded in a 3-coordinate geometry to one Hg(1), one As(1), and one As(2) atom. The Zn(1)-As(1) bond length is 0.76 Å. The Zn(1)-As(2) bond length is 0.67 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one Zn(1) and one As(2) atom. The As(1)-As(2) bond length is 0.49 Å. In the second As site, As(2) is bonded in a distorted L-shaped geometry to one Zn(1) and one As(1) atom.