data_NaAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   3.21
_cell_angle_alpha   100.85
_cell_angle_beta   100.85
_cell_angle_gamma   113.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAgHg2
_chemical_formula_sum   'Na1 Ag1 Hg2'
_cell_volume   92.98
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.17  0.0  0.0  1.0
  Hg  Hg1  1  0.03  0.57  0.51  1.0
  Hg  Hg2  1  0.03  0.43  0.51  1.0

data_NaAgHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   113.91
_cell_angle_beta   100.85
_cell_angle_gamma   100.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAgHg2
_chemical_formula_sum   'Na1 Ag1 Hg2'
_cell_volume   92.98
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.17  0.0  1.0
  Hg  Hg2  1  0.51  0.03  0.57  1.0
  Hg  Hg3  1  0.51  0.03  0.43  1.0

Na Ag Hg Hg
Na Ag Hg Hg 0 1 o o o 2 3 o o o 
NaAgHg2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaAgHg2 cluster. Na(1) is bonded in a single-bond geometry to one Ag(1) and one Hg(2) atom. The Na(1)-Ag(1) bond length is 0.97 Å. The Na(1)-Hg(2) bond length is 2.65 Å. Ag(1) is bonded in a single-bond geometry to one Na(1) atom. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 1-coordinate geometry to one Hg(2) atom. The Hg(1)-Hg(2) bond length is 0.77 Å. In the second Hg site, Hg(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Hg(1) atom.