data_Y2HgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   37.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgTe
_chemical_formula_sum   'Y2 Hg1 Te1'
_cell_volume   111.41
_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
  Y  Y2  1  0.0  0.0  0.01  1.0
  Y  Y3  1  0.38  0.0  0.04  1.0
  Hg  Hg0  1  0.38  0.0  0.01  1.0
  Te  Te1  1  0.0  0.0  0.59  1.0

data_Y2HgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.75
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgTe
_chemical_formula_sum   'Y2 Hg1 Te1'
_cell_volume   111.41
_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
  Y  Y0  1  0.96  0.38  0.96  1.0
  Y  Y1  1  0.99  0.0  0.99  1.0
  Hg  Hg2  1  0.99  0.38  0.99  1.0
  Te  Te3  1  0.41  0.0  0.41  1.0

Y Y Hg Te
Y2HgTe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Y2HgTe cluster. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted L-shaped geometry to one Hg(1) and one Te(1) atom. The Y(1)-Hg(1) bond length is 1.79 Å. The Y(1)-Te(1) bond length is 2.59 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Hg(1) atom. The Y(2)-Hg(1) bond length is 0.17 Å. Hg(1) is bonded in a single-bond geometry to one Y(1) and one Y(2) atom. Te(1) is bonded in a distorted single-bond geometry to one Y(1) atom.