data_KMoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   117.84
_cell_angle_beta   117.84
_cell_angle_gamma   93.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMoIr2
_chemical_formula_sum   'K1 Mo1 Ir2'
_cell_volume   69.16
_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  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.12  1.0
  Ir  Ir0  1  0.0  0.35  0.56  1.0
  Ir  Ir1  1  0.35  0.0  0.56  1.0

data_KMoIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   6.66
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   133.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMoIr2
_chemical_formula_sum   'K2 Mo2 Ir4'
_cell_volume   138.32
_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
  Mo  Mo1  2  0.0  0.0  0.88  1.0
  Ir  Ir2  4  0.32  0.32  0.44  1.0

K Mo Ir Ir
KMoIr2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to one Mo(1) and four equivalent Ir(1) atoms. The K(1)-Mo(1) bond length is 0.54 Å. There are two shorter (2.68 Å) and two longer (3.12 Å) K(1)-Ir(1) bond lengths. Mo(1) is bonded in a single-bond geometry to one K(1) and two equivalent Ir(1) atoms. Both Mo(1)-Ir(1) bond lengths are 1.90 Å. Ir(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Mo(1) atom.