data_ZrAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgHg2
_chemical_formula_sum   'Zr1 Ag1 Hg2'
_cell_volume   85.25
_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  Zr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.25  0.0  0.0  1.0
  Hg  Hg1  1  0.62  0.79  0.48  1.0
  Hg  Hg2  1  0.62  0.21  0.48  1.0

data_ZrAgHg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.49
_cell_length_b   2.97
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrAgHg2
_chemical_formula_sum   'Zr1 Ag1 Hg2'
_cell_volume   85.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.25  0.0  0.0  1.0
  Hg  Hg2  1  0.62  0.5  0.21  1.0
  Hg  Hg3  1  0.62  0.5  0.79  1.0

Zr Ag Hg Hg
Zr Ag Hg Hg 0 1 o o o 0 2 - - o 0 2 - - - 1 3 o o o 1 3 o o - 2 3 o + o 2 2 o o + 3 3 o o + 
ZrAgHg2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a distorted single-bond geometry to one Ag(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. The Zr(1)-Ag(1) bond length is 1.35 Å. There is one shorter (2.50 Å) and one longer (2.55 Å) Zr(1)-Hg(1) bond length. There is one shorter (3.02 Å) and one longer (3.06 Å) Zr(1)-Hg(2) bond length. Ag(1) is bonded in a single-bond geometry to one Zr(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. There is one shorter (3.02 Å) and one longer (3.06 Å) Ag(1)-Hg(1) bond length. There is one shorter (2.50 Å) and one longer (2.55 Å) Ag(1)-Hg(2) bond length. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Ag(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. Both Hg(1)-Hg(1) bond lengths are 2.97 Å. There is one shorter (2.31 Å) and one longer (3.17 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Ag(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. Both Hg(2)-Hg(2) bond lengths are 2.97 Å.