data_KBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   31.0
_cell_angle_beta   31.0
_cell_angle_gamma   31.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi2Ir
_chemical_formula_sum   'K1 Bi2 Ir1'
_cell_volume   126.31
_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  K3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.1  1.0
  Bi  Bi1  1  0.0  0.0  0.09  1.0
  Ir  Ir2  1  0.0  0.0  0.6  1.0

data_KBi2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.52
_cell_length_b   4.34
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBi2Ir
_chemical_formula_sum   'K2 Bi4 Ir2'
_cell_volume   252.62
_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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.9  1.0
  Bi  Bi2  2  0.0  0.0  0.91  1.0
  Ir  Ir3  2  -0.0  0.0  0.4  1.0

K Bi Bi Ir
K Bi Bi Ir 0 2 o o o 0 1 o o o 0 3 - o o 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o o o 1 3 o o - 2 3 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
KIrBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KIrBi2 clusters. K(1) is bonded in a single-bond geometry to one Ir(1) and one Bi(2) atom. The K(1)-Ir(1) bond length is 3.28 Å. The K(1)-Bi(2) bond length is 0.71 Å. Ir(1) is bonded in a single-bond geometry to one K(1) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Bi(2) atom. The Bi(1)-Bi(2) bond length is 0.14 Å. In the second Bi site, Bi(2) is bonded in a distorted linear geometry to one K(1) and one Bi(1) atom.