data_CaHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.55
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHgAs2
_chemical_formula_sum   'Ca1 Hg1 As2'
_cell_volume   89.19
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.28  0.34  1.0
  As  As0  1  0.1  0.28  0.0  1.0
  As  As1  1  0.1  0.0  0.34  1.0

data_CaHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.55
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHgAs2
_chemical_formula_sum   'Ca1 Hg1 As2'
_cell_volume   89.19
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.28  0.34  1.0
  As  As2  1  0.1  0.0  0.34  1.0
  As  As3  1  0.1  0.28  0.0  1.0

Ca Hg As As
CaHgAs2 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaHgAs2 cluster. Ca(1) is bonded in a distorted L-shaped geometry to one As(1) and one As(2) atom. The Ca(1)-As(1) bond length is 1.32 Å. The Ca(1)-As(2) bond length is 1.62 Å. Hg(1) is bonded in a distorted L-shaped geometry to one As(1) and one As(2) atom. The Hg(1)-As(1) bond length is 1.62 Å. The Hg(1)-As(2) bond length is 1.32 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Hg(1) atom. In the second As site, As(2) is bonded in a distorted L-shaped geometry to one Ca(1) and one Hg(1) atom.