data_Hg5Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   95.61
_cell_angle_beta   95.61
_cell_angle_gamma   143.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5Ir4
_chemical_formula_sum   'Hg5 Ir4'
_cell_volume   163.73
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.93  0.93  0.0  1.0
  Hg  Hg2  1  0.48  0.52  0.07  1.0
  Hg  Hg3  1  0.52  0.48  0.07  1.0
  Hg  Hg4  1  0.52  0.52  0.07  1.0
  Ir  Ir5  1  0.0  0.15  0.0  1.0
  Ir  Ir6  1  0.0  0.75  0.0  1.0
  Ir  Ir7  1  0.15  0.0  0.0  1.0
  Ir  Ir8  1  0.75  0.0  0.0  1.0

data_Hg5Ir4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   12.58
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg5Ir4
_chemical_formula_sum   'Hg10 Ir8'
_cell_volume   327.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.07  0.48  0.07  1.0
  Hg  Hg1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.05  0.5  0.07  1.0
  Hg  Hg3  2  0.07  0.0  0.0  1.0
  Ir  Ir4  4  0.13  0.13  0.0  1.0
  Ir  Ir5  4  0.43  0.43  0.0  1.0

Hg Hg Hg Hg Hg Ir Ir Ir Ir
Hg Hg Hg Hg Hg Ir Ir Ir Ir 0 1 - - o 0 5 o o o 0 7 o o o 1 5 + + o 1 7 + + o 2 4 o o o 3 4 o o o 5 8 - o o 6 7 o + o 
Ir4Hg5 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ir4Hg5 clusters. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(2) and one Hg(1) atom. The Ir(1)-Ir(2) bond length is 1.06 Å. The Ir(1)-Hg(1) bond length is 0.96 Å. In the second Ir site, Ir(2) is bonded in a 3-coordinate geometry to one Ir(1), one Hg(2), and one Hg(3) atom. The Ir(2)-Hg(2) bond length is 1.60 Å. The Ir(2)-Hg(3) bond length is 2.21 Å. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 3-coordinate geometry to two equivalent Ir(1) and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 0.30 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to two equivalent Ir(2) and one Hg(1) atom. In the third Hg site, Hg(3) is bonded in a distorted single-bond geometry to one Ir(2) and one Hg(4) atom. The Hg(3)-Hg(4) bond length is 0.25 Å. In the fourth Hg site, Hg(4) is bonded in a bent 150 degrees geometry to two equivalent Hg(3) atoms.