data_SnHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgTe2
_chemical_formula_sum   'Sn1 Hg1 Te2'
_cell_volume   129.56
_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
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.25  1.0
  Te  Te2  1  0.76  0.76  0.14  1.0
  Te  Te3  1  0.76  0.76  0.36  1.0

data_SnHgTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnHgTe2
_chemical_formula_sum   'Sn2 Hg2 Te4'
_cell_volume   259.12
_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
  Sn  Sn0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.25  1.0
  Te  Te2  2  0.26  0.5  0.14  1.0
  Te  Te3  2  0.26  0.5  0.36  1.0

Sn Hg Te Te
Sn Hg Te Te 0 2 - - o 1 2 - - o 1 3 - - o 
HgSnTe2 is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HgSnTe2 clusters. Hg(1) is bonded in an L-shaped geometry to one Te(1) and one Te(2) atom. The Hg(1)-Te(1) bond length is 1.68 Å. The Hg(1)-Te(2) bond length is 1.68 Å. Sn(1) is bonded in a single-bond geometry to one Te(1) atom. The Sn(1)-Te(1) bond length is 1.87 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in an L-shaped geometry to one Hg(1) and one Sn(1) atom. In the second Te site, Te(2) is bonded in a single-bond geometry to one Hg(1) atom.