data_Hg2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrOs
_chemical_formula_sum   'Hg2 Ir1 Os1'
_cell_volume   69.9
_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  0.32  0.62  1.0
  Hg  Hg1  1  0.32  0.0  0.62  1.0
  Ir  Ir2  1  0.32  0.32  0.0  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Hg2IrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2IrOs
_chemical_formula_sum   'Hg4 Ir2 Os2'
_cell_volume   139.8
_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  0.16  0.16  0.62  1.0
  Os  Os1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.32  0.0  0.0  1.0

Hg Hg Ir Os
Hg Hg Ir Os 0 3 o o + 0 1 o o o 0 2 o o + 1 3 o o + 1 2 o o + 2 3 o o o 
OsIrHg2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two OsIrHg2 clusters. Os(1) is bonded in a 2-coordinate geometry to two equivalent Hg(1) atoms. Both Os(1)-Hg(1) bond lengths are 1.94 Å. Ir(1) is bonded in a 2-coordinate geometry to two equivalent Hg(1) atoms. Both Ir(1)-Hg(1) bond lengths are 1.94 Å. Hg(1) is bonded in a 2-coordinate geometry to one Os(1) and one Ir(1) atom.