data_AgHg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Br
_chemical_formula_sum   'Ag1 Hg2 Br1'
_cell_volume   106.95
_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
  Ag  Ag0  1  0.0  0.0  0.4  1.0
  Hg  Hg2  1  0.91  0.0  0.28  1.0
  Hg  Hg3  1  0.91  0.0  0.52  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_AgHg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Br
_chemical_formula_sum   'Ag1 Hg2 Br1'
_cell_volume   106.95
_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
  Ag  Ag0  1  0.0  0.0  0.4  1.0
  Hg  Hg1  1  0.91  0.0  0.28  1.0
  Hg  Hg2  1  0.91  0.0  0.52  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ag Hg Hg Br
Ag Hg Hg Br 0 1 - o o 0 2 - o o 1 3 + o o 
AgHg2Br is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AgHg2Br cluster. Ag(1) is bonded in a bent 150 degrees geometry to one Hg(1) and one Hg(2) atom. The Ag(1)-Hg(1) bond length is 1.08 Å. The Ag(1)-Hg(2) bond length is 1.08 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a bent 150 degrees geometry to one Ag(1) and one Br(1) atom. The Hg(1)-Br(1) bond length is 2.50 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Ag(1) atom. Br(1) is bonded in a single-bond geometry to one Hg(1) atom.