data_Hg3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.81
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3As
_chemical_formula_sum   'Hg6 As2'
_cell_volume   194.64
_cell_formula_units_Z   2
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
  Hg  Hg2  1  0.0  0.91  0.3  1.0
  Hg  Hg3  1  0.87  0.0  0.53  1.0
  Hg  Hg4  1  0.44  0.0  0.42  1.0
  Hg  Hg5  1  0.31  0.0  0.42  1.0
  Hg  Hg6  1  0.31  0.91  0.41  1.0
  Hg  Hg7  1  0.44  0.91  0.41  1.0
  As  As0  1  0.0  0.0  0.47  1.0
  As  As1  1  0.87  0.91  0.36  1.0

data_Hg3As
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   5.81
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3As
_chemical_formula_sum   'Hg6 As2'
_cell_volume   194.64
_cell_formula_units_Z   2
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
  Hg  Hg0  1  0.0  0.91  0.3  1.0
  Hg  Hg1  1  0.31  0.91  0.41  1.0
  Hg  Hg2  1  0.31  0.0  0.42  1.0
  Hg  Hg3  1  0.44  0.0  0.42  1.0
  Hg  Hg4  1  0.44  0.91  0.41  1.0
  Hg  Hg5  1  0.87  0.0  0.53  1.0
  As  As6  1  0.0  0.0  0.47  1.0
  As  As7  1  0.87  0.91  0.36  1.0

Hg Hg Hg Hg Hg Hg As As
(Hg)2AsHg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AsHg cluster and two Hg clusters. In the AsHg cluster, Hg(1,2) is bonded in a 2-coordinate geometry to one As(1) and one As(2) atom. The Hg(1,2)-As(1) bond length is 1.15 Å. The Hg(1,2)-As(2) bond length is 0.80 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Hg(1,2) atoms. In the second As site, As(2) is bonded in a 2-coordinate geometry to two equivalent Hg(1,2) atoms. In each Hg cluster, there are two inequivalent Hg sites. In the first Hg site, Hg(3) is bonded in a distorted single-bond geometry to one Hg(6) atom. The Hg(3)-Hg(6) bond length is 0.56 Å. In the second Hg site, Hg(6) is bonded in a distorted single-bond geometry to one Hg(3) atom.