data_CrHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   131.9
_cell_angle_beta   131.9
_cell_angle_gamma   70.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgAs2
_chemical_formula_sum   'Cr1 Hg1 As2'
_cell_volume   77.08
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.26  1.0
  As  As0  1  0.0  0.13  0.13  1.0
  As  As1  1  0.13  0.0  0.13  1.0

data_CrHgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   125.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrHgAs2
_chemical_formula_sum   'Cr2 Hg2 As4'
_cell_volume   154.15
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.26  1.0
  As  As2  4  0.44  0.44  0.01  1.0

Cr Hg As As
Cr Hg As As 0 2 o o o 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 
CrHgAs2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CrHgAs2 clusters. Cr(1) is bonded in an L-shaped geometry to two equivalent As(1) atoms. Both Cr(1)-As(1) bond lengths are 0.55 Å. Hg(1) is bonded in a 2-coordinate geometry to two equivalent As(1) atoms. Both Hg(1)-As(1) bond lengths are 1.23 Å. As(1) is bonded in a single-bond geometry to one Cr(1) and one Hg(1) atom.