data_KZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.92
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnIr2
_chemical_formula_sum   'K1 Zn1 Ir2'
_cell_volume   69.38
_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
  Zn  Zn3  1  0.38  0.46  0.0  1.0
  Ir  Ir0  1  0.38  0.0  0.56  1.0
  Ir  Ir1  1  0.0  0.46  0.56  1.0

data_KZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.92
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnIr2
_chemical_formula_sum   'K1 Zn1 Ir2'
_cell_volume   69.38
_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
  Zn  Zn1  1  0.38  0.46  -0.0  1.0
  Ir  Ir2  1  0.0  0.46  0.56  1.0
  Ir  Ir3  1  0.38  0.0  0.56  1.0

K Zn Ir Ir
KIr2Zn crystallizes in the triclinic P1 space group. K(1) is bonded in a 2-coordinate geometry to one Ir(1) and four equivalent Zn(1) atoms. The K(1)-Ir(1) bond length is 2.50 Å. There are a spread of K(1)-Zn(1) bond distances ranging from 2.49-3.16 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to one K(1) atom. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to three equivalent Zn(1) atoms. There are a spread of Ir(2)-Zn(1) bond distances ranging from 2.50-3.03 Å. Zn(1) is bonded in a 7-coordinate geometry to four equivalent K(1) and three equivalent Ir(2) atoms.