data_LiHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgAs2
_chemical_formula_sum   'Li1 Hg1 As2'
_cell_volume   79.03
_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  0.08  0.08  0.0  1.0
  As  As0  1  0.0  0.08  0.27  1.0
  As  As1  1  0.08  0.0  0.27  1.0

data_LiHgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHgAs2
_chemical_formula_sum   'Li2 Hg2 As4'
_cell_volume   158.05
_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  0.08  0.0  0.0  1.0
  As  As2  4  0.04  0.04  0.27  1.0

Li Hg As As
Li Hg As As 0 1 o o o 2 3 o o o 
LiHgAs2 is alpha Po 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 single-bond geometry to one Hg(1) and two equivalent As(1) atoms. The Li(1)-Hg(1) bond length is 0.49 Å. Both Li(1)-As(1) bond lengths are 1.30 Å. Hg(1) is bonded in a single-bond geometry to one Li(1) and two equivalent As(1) atoms. Both Hg(1)-As(1) bond lengths are 1.30 Å. As(1) is bonded in a 3-coordinate geometry to one Li(1), one Hg(1), and one As(1) atom. The As(1)-As(1) bond length is 0.49 Å.