data_SnHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Te
_chemical_formula_sum   'Sn1 Hg2 Te1'
_cell_volume   113.62
_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  Sn2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.39  0.0  0.48  1.0
  Hg  Hg1  1  0.0  0.39  0.48  1.0
  Te  Te3  1  0.39  0.39  0.0  1.0

data_SnHg2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnHg2Te
_chemical_formula_sum   'Sn2 Hg4 Te2'
_cell_volume   227.24
_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  4  0.2  0.2  0.48  1.0
  Te  Te2  2  0.39  0.0  0.0  1.0

Sn Hg Hg Te
Sn Hg Hg Te 0 3 - o o 0 3 o - o 0 3 o o o 0 2 o o - 0 2 o o o 0 1 o o - 0 1 o o o 1 2 o - o 1 2 o o o 1 2 + o o 1 3 o o o 1 3 o o + 2 3 o o o 2 3 o o + 
Hg2SnTe crystallizes in the monoclinic Cm space group. Hg(1) is bonded in a 5-coordinate geometry to one Hg(1), two equivalent Sn(1), and two equivalent Te(1) atoms. The Hg(1)-Hg(1) bond length is 2.67 Å. There is one shorter (3.02 Å) and one longer (3.21 Å) Hg(1)-Sn(1) bond length. There is one shorter (3.02 Å) and one longer (3.21 Å) Hg(1)-Te(1) bond length. Sn(1) is bonded in a 7-coordinate geometry to four equivalent Hg(1) and three equivalent Te(1) atoms. There is one shorter (2.67 Å) and two longer (3.46 Å) Sn(1)-Te(1) bond lengths. Te(1) is bonded in a 7-coordinate geometry to four equivalent Hg(1) and three equivalent Sn(1) atoms.