data_K2HgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgIr
_chemical_formula_sum   'K2 Hg1 Ir1'
_cell_volume   99.02
_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
  K  K2  1  0.0  0.17  0.64  1.0
  K  K3  1  0.17  0.0  0.64  1.0
  Hg  Hg0  1  0.17  0.17  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0

data_K2HgIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2HgIr
_chemical_formula_sum   'K4 Hg2 Ir2'
_cell_volume   198.04
_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
  K  K0  4  0.08  0.08  0.64  1.0
  Hg  Hg1  2  0.17  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0

K K Hg Ir
K K Hg Ir 0 1 o o o 2 3 o o o 
K2IrHg is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2IrHg clusters. K(1) is bonded in a 3-coordinate geometry to one K(1), one Ir(1), and one Hg(1) atom. The K(1)-K(1) bond length is 1.02 Å. The K(1)-Ir(1) bond length is 2.04 Å. The K(1)-Hg(1) bond length is 2.04 Å. Ir(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Hg(1) atom. The Ir(1)-Hg(1) bond length is 1.02 Å. Hg(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Ir(1) atom.