data_CdInHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInHg2
_chemical_formula_sum   'Cd1 In1 Hg2'
_cell_volume   103.07
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.5  1.0
  Hg  Hg1  1  0.69  0.69  0.17  1.0
  Hg  Hg2  1  0.69  0.69  0.84  1.0

data_CdInHg2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   9.01
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   CdInHg2
_chemical_formula_sum   'Cd2 In2 Hg4'
_cell_volume   206.15
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.5  0.0  0.0  1.0
  Hg  Hg2  4  0.17  0.0  0.69  1.0

Cd In Hg Hg
Hg2CdIn crystallizes in the monoclinic Cm space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Cd(1) and one In(1) atom. The Hg(1)-Cd(1) bond length is 2.11 Å. The Hg(1)-In(1) bond length is 3.37 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Cd(1) and one In(1) atom. The Hg(2)-Cd(1) bond length is 2.06 Å. The Hg(2)-In(1) bond length is 3.37 Å. Cd(1) is bonded in a distorted L-shaped geometry to one Hg(1) and one Hg(2) atom. In(1) is bonded to one Hg(1), one Hg(2), and four equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing InIn4Hg2 octahedra. The corner-sharing octahedra are not tilted. All In(1)-In(1) bond lengths are 3.38 Å.