data_KZn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Ir
_chemical_formula_sum   'K1 Zn2 Ir1'
_cell_volume   71.16
_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  K1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.44  0.49  1.0
  Zn  Zn3  1  0.44  0.0  0.49  1.0
  Ir  Ir0  1  0.44  0.44  0.0  1.0

data_KZn2Ir
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   KZn2Ir
_chemical_formula_sum   'K2 Zn4 Ir2'
_cell_volume   142.31
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Zn  Zn1  4  0.5  0.22  0.22  1.0
  Ir  Ir2  2  0.0  0.0  0.44  1.0

K Zn Zn Ir
K Zn Zn Ir 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o - - 0 1 o - o 0 1 o o - 0 1 o o o 0 0 o o + 0 3 o o o 1 3 - o o 1 3 - o + 1 3 o o o 1 3 o o + 1 2 o o o 1 1 o o + 2 3 o - o 2 3 o - + 2 3 o o o 2 3 o o + 2 2 o o + 3 3 o o + 
KIrZn2 is alpha iridium vanadium-derived structured and crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Zn(1) atoms. There are a spread of K(1)-Zn(1) bond distances ranging from 2.62-3.11 Å. Ir(1) is bonded in a 4-coordinate geometry to eight equivalent Zn(1) atoms. There are a spread of Ir(1)-Zn(1) bond distances ranging from 2.62-3.11 Å. Zn(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Ir(1) atoms.