data_LiHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.68
_cell_length_b   10.68
_cell_length_c   10.68
_cell_angle_alpha   15.96
_cell_angle_beta   15.96
_cell_angle_gamma   15.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgAs2
_chemical_formula_sum   'Li1 Hg1 As2'
_cell_volume   80.32
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.82  1.0
  As  As0  1  0.0  0.0  0.25  1.0
  As  As1  1  0.0  0.0  0.38  1.0

data_LiHgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   99.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHgAs2
_chemical_formula_sum   'Li2 Hg2 As4'
_cell_volume   160.65
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.18  1.0
  As  As2  2  0.0  0.0  0.62  1.0
  As  As3  2  0.0  0.0  0.75  1.0

Li Hg As As
LiHgAs2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiHgAs2 clusters. Li(1) is bonded in a distorted linear geometry to one Hg(1) and one As(1) atom. The Li(1)-Hg(1) bond length is 1.96 Å. The Li(1)-As(1) bond length is 2.68 Å. Hg(1) is bonded in a single-bond geometry to one Li(1) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a linear geometry to one Li(1) and one As(2) atom. The As(1)-As(2) bond length is 1.40 Å. In the second As site, As(2) is bonded in a single-bond geometry to one As(1) atom.