data_Zn(CrIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   146.0
_cell_angle_beta   146.0
_cell_angle_gamma   48.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(CrIr)2
_chemical_formula_sum   'Zn1 Cr2 Ir2'
_cell_volume   76.66
_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
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.83  0.85  1.0
  Cr  Cr1  1  0.83  0.0  0.85  1.0
  Ir  Ir2  1  0.0  0.0  0.95  1.0
  Ir  Ir3  1  0.0  0.0  0.47  1.0

data_Zn(CrIr)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   114.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn(CrIr)2
_chemical_formula_sum   'Zn2 Cr4 Ir4'
_cell_volume   153.33
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  4  0.44  0.42  0.02  1.0
  Ir  Ir2  2  0.45  0.5  0.95  1.0
  Ir  Ir3  2  0.47  0.0  0.47  1.0

Zn Cr Cr Ir Ir
Zn Cr Cr Ir Ir 0 3 o o - 0 1 o - - 0 2 - o - 0 4 o o o 0 4 o o - 1 3 o + o 1 4 o o o 1 4 o + + 1 4 o + o 2 3 + o o 2 4 + o + 2 4 + o o 2 4 o o o 3 4 o o + 3 4 o o o 4 4 + o + 4 4 o + + 
Zn(CrIr)2 crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 2-coordinate geometry to one Ir(1), two equivalent Ir(2), and one Zn(1) atom. The Cr(1)-Ir(1) bond length is 0.65 Å. There is one shorter (3.03 Å) and one longer (3.48 Å) Cr(1)-Ir(2) bond length. The Cr(1)-Zn(1) bond length is 0.59 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to two equivalent Cr(1), one Ir(2), and one Zn(1) atom. The Ir(1)-Ir(2) bond length is 3.02 Å. The Ir(1)-Zn(1) bond length is 0.33 Å. In the second Ir site, Ir(2) is bonded in a distorted hexagonal planar geometry to four equivalent Cr(1), one Ir(1), and one Zn(1) atom. The Ir(2)-Zn(1) bond length is 2.93 Å. Zn(1) is bonded in a single-bond geometry to two equivalent Cr(1), one Ir(1), and one Ir(2) atom.