data_HgPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.8
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPt3
_chemical_formula_sum   'Hg1 Pt3'
_cell_volume   67.69
_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  0.43  0.4  0.89  1.0
  Pt  Pt1  1  0.43  0.0  0.72  1.0
  Pt  Pt2  1  0.0  0.4  0.41  1.0
  Pt  Pt3  1  0.0  0.0  0.09  1.0

data_HgPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.8
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPt3
_chemical_formula_sum   'Hg1 Pt3'
_cell_volume   67.69
_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  0.43  0.4  0.89  1.0
  Pt  Pt1  1  0.0  0.0  0.09  1.0
  Pt  Pt2  1  0.0  0.4  0.41  1.0
  Pt  Pt3  1  0.43  0.0  0.72  1.0

Hg Pt Pt Pt
Pt3Hg crystallizes in the triclinic P1 space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to two equivalent Pt(2), two equivalent Pt(3), and one Hg(1) atom. There is one shorter (2.74 Å) and one longer (2.93 Å) Pt(1)-Pt(2) bond length. There is one shorter (2.22 Å) and one longer (2.45 Å) Pt(1)-Pt(3) bond length. The Pt(1)-Hg(1) bond length is 2.10 Å. In the second Pt site, Pt(2) is bonded in a 10-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), two equivalent Pt(3), and four equivalent Hg(1) atoms. Both Pt(2)-Pt(2) bond lengths are 2.87 Å. There is one shorter (2.49 Å) and one longer (3.29 Å) Pt(2)-Pt(3) bond length. There are a spread of Pt(2)-Hg(1) bond distances ranging from 2.67-3.03 Å. In the third Pt site, Pt(3) is bonded in a 5-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), and two equivalent Hg(1) atoms. There is one shorter (2.49 Å) and one longer (2.70 Å) Pt(3)-Hg(1) bond length. Hg(1) is bonded in a 1-coordinate geometry to one Pt(1), two equivalent Pt(3), and four equivalent Pt(2) atoms.