data_KIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   154.19
_cell_angle_beta   133.98
_cell_angle_gamma   53.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIr2Pd
_chemical_formula_sum   'K1 Ir2 Pd1'
_cell_volume   70.6
_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
  Ir  Ir0  1  0.36  0.0  0.02  1.0
  Ir  Ir1  1  0.0  0.38  0.43  1.0
  Pd  Pd3  1  0.0  0.0  0.44  1.0

data_KIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.76
_cell_length_c   6.09
_cell_angle_alpha   113.01
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIr2Pd
_chemical_formula_sum   'K1 Ir2 Pd1'
_cell_volume   70.6
_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  K0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.34  0.98  0.34  1.0
  Pd  Pd2  1  0.56  0.56  0.56  1.0
  Ir  Ir3  1  0.57  0.96  0.96  1.0

K Ir Ir Pd
K Ir Ir Pd 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o - - 1 2 o o o 1 3 o o - 1 3 + o o 1 1 o + + 2 3 o o o 3 3 o + + 
KIr2Pd crystallizes in the triclinic P1 space group. K(1) is bonded in a 3-coordinate geometry to one Ir(1), two equivalent Ir(2), and two equivalent Pd(1) atoms. The K(1)-Ir(1) bond length is 2.13 Å. There is one shorter (1.13 Å) and one longer (1.64 Å) K(1)-Ir(2) bond length. There is one shorter (2.69 Å) and one longer (3.40 Å) K(1)-Pd(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one K(1) and two equivalent Pd(1) atoms. There is one shorter (2.53 Å) and one longer (2.80 Å) Ir(1)-Pd(1) bond length. In the second Ir site, Ir(2) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1) and one Pd(1) atom. The Ir(2)-Pd(1) bond length is 2.42 Å. Pd(1) is bonded to two equivalent K(1), one Ir(2), two equivalent Ir(1), and two equivalent Pd(1) atoms to form distorted corner-sharing PdK2Ir3Pd2 pentagonal bipyramids. Both Pd(1)-Pd(1) bond lengths are 2.72 Å.