data_Hg2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   155.41
_cell_angle_beta   140.48
_cell_angle_gamma   47.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TePt
_chemical_formula_sum   'Hg2 Te1 Pt1'
_cell_volume   97.21
_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
  Hg  Hg0  1  0.0  0.42  0.55  1.0
  Hg  Hg1  1  0.53  0.0  0.02  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.57  1.0

data_Hg2TePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.85
_cell_length_c   7.17
_cell_angle_alpha   109.76
_cell_angle_beta   102.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TePt
_chemical_formula_sum   'Hg2 Te1 Pt1'
_cell_volume   97.21
_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
  Hg  Hg0  1  0.45  0.87  0.87  1.0
  Hg  Hg1  1  0.51  0.98  0.51  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.43  0.43  0.43  1.0

Hg Hg Te Pt
Hg Hg Te Pt 0 2 o + + 0 2 o o o 0 1 - o o 1 3 o o - 1 3 + o o 3 3 o + + 
PtHg2Te crystallizes in the triclinic P1 space group. Pt(1) is bonded in a 6-coordinate geometry to two equivalent Pt(1), one Hg(1), two equivalent Hg(2), and one Te(1) atom. Both Pt(1)-Pt(1) bond lengths are 3.05 Å. The Pt(1)-Hg(1) bond length is 3.14 Å. There is one shorter (2.42 Å) and one longer (2.55 Å) Pt(1)-Hg(2) bond length. The Pt(1)-Te(1) bond length is 3.08 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted bent 120 degrees geometry to one Pt(1) and two equivalent Te(1) atoms. There is one shorter (1.75 Å) and one longer (1.81 Å) Hg(1)-Te(1) bond length. In the second Hg site, Hg(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Pt(1) atoms. Te(1) is bonded in a distorted bent 120 degrees geometry to one Pt(1) and two equivalent Hg(1) atoms.