data_ZnIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   17.49
_cell_angle_beta   17.49
_cell_angle_gamma   17.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIrOs2
_chemical_formula_sum   'Zn1 Ir1 Os2'
_cell_volume   57.44
_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  Zn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.29  1.0
  Os  Os1  1  0.0  0.0  0.94  1.0
  Os  Os2  1  0.0  0.0  0.64  1.0

data_ZnIrOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   2.74
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnIrOs2
_chemical_formula_sum   'Zn2 Ir2 Os4'
_cell_volume   114.89
_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
  Os  Os1  2  0.0  0.0  0.06  1.0
  Os  Os2  2  0.0  0.0  0.36  1.0
  Ir  Ir3  2  0.0  0.0  0.71  1.0

Zn Ir Os Os
Os2IrZn crystallizes in the monoclinic Cm space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Os(2) and one Zn(1) atom. The Os(1)-Os(2) bond length is 2.73 Å. The Os(1)-Zn(1) bond length is 0.55 Å. In the second Os site, Os(2) is bonded to one Os(1), six equivalent Os(2), and one Ir(1) atom to form a mixture of corner and edge-sharing OsIrOs7 hexagonal bipyramids. All Os(2)-Os(2) bond lengths are 2.74 Å. The Os(2)-Ir(1) bond length is 3.13 Å. Ir(1) is bonded in a distorted single-bond geometry to one Os(2) and one Zn(1) atom. The Ir(1)-Zn(1) bond length is 2.58 Å. Zn(1) is bonded in a single-bond geometry to one Os(1) and one Ir(1) atom.