data_Zr2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.97
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2HgPt
_chemical_formula_sum   'Zr2 Hg1 Pt1'
_cell_volume   79.5
_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
  Zr  Zr2  1  0.57  0.48  0.86  1.0
  Zr  Zr3  1  0.43  0.0  0.65  1.0
  Hg  Hg0  1  0.01  0.48  0.33  1.0
  Pt  Pt1  1  0.92  0.0  0.28  1.0

data_Zr2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.97
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2HgPt
_chemical_formula_sum   'Zr2 Hg1 Pt1'
_cell_volume   79.5
_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
  Zr  Zr0  1  0.43  0.0  0.65  1.0
  Zr  Zr1  1  0.57  0.48  0.86  1.0
  Hg  Hg2  1  0.01  0.48  0.33  1.0
  Pt  Pt3  1  0.92  0.0  0.28  1.0

Zr Zr Hg Pt
Zr Zr Hg Pt 0 1 o o o 0 1 o + o 0 2 o o o 0 2 o o + 0 2 + o o 0 2 + o + 0 0 + o o 0 3 o o + 1 3 - o o 1 3 o o o 1 1 + o o 1 2 o o o 2 3 - o o 2 3 - + o 2 2 + o o 
Zr2PtHg crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Pt(1), and four equivalent Hg(1) atoms. Both Zr(1)-Zr(1) bond lengths are 3.05 Å. There is one shorter (2.67 Å) and one longer (2.82 Å) Zr(1)-Zr(2) bond length. There is one shorter (3.40 Å) and one longer (3.53 Å) Zr(1)-Pt(1) bond length. There are a spread of Zr(1)-Hg(1) bond distances ranging from 2.76-3.18 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and two equivalent Pt(1) atoms. There is one shorter (2.40 Å) and one longer (2.50 Å) Zr(2)-Pt(1) bond length. Pt(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Hg(1) atoms. There is one shorter (2.42 Å) and one longer (2.59 Å) Pt(1)-Hg(1) bond length. Hg(1) is bonded in a 3-coordinate geometry to four equivalent Zr(1) and two equivalent Pt(1) atoms.