data_AgHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Te
_chemical_formula_sum   'Ag1 Hg2 Te1'
_cell_volume   100.64
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.69  0.69  0.69  1.0
  Hg  Hg2  1  0.85  0.85  0.85  1.0
  Te  Te3  1  0.54  0.54  0.54  1.0

data_AgHg2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgHg2Te
_chemical_formula_sum   'Ag3 Hg6 Te3'
_cell_volume   301.92
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ag  Ag0  3  0.0  0.0  0.0  1.0
  Hg  Hg1  3  0.0  0.0  0.15  1.0
  Hg  Hg2  3  0.0  0.0  0.31  1.0
  Te  Te3  3  0.0  0.0  0.46  1.0

Ag Hg Hg Te
AgHg2Te crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted single-bond geometry to one Hg(2) and three equivalent Hg(1) atoms. The Ag(1)-Hg(2) bond length is 1.97 Å. All Ag(1)-Hg(1) bond lengths are 3.03 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to three equivalent Ag(1), one Hg(2), and one Te(1) atom to form distorted HgAg3HgTe trigonal bipyramids that share corners with six equivalent Hg(1)Ag3HgTe trigonal bipyramids and edges with three equivalent Hg(2)AgHgTe3 trigonal bipyramids. The Hg(1)-Hg(2) bond length is 1.97 Å. The Hg(1)-Te(1) bond length is 1.97 Å. In the second Hg site, Hg(2) is bonded to one Ag(1), one Hg(1), and three equivalent Te(1) atoms to form distorted HgAgHgTe3 trigonal bipyramids that share corners with six equivalent Hg(2)AgHgTe3 trigonal bipyramids and edges with three equivalent Hg(1)Ag3HgTe trigonal bipyramids. All Hg(2)-Te(1) bond lengths are 3.03 Å. Te(1) is bonded in a distorted single-bond geometry to one Hg(1) and three equivalent Hg(2) atoms.