data_ZnRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   9.16
_cell_angle_alpha   17.25
_cell_angle_beta   17.25
_cell_angle_gamma   17.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Ir
_chemical_formula_sum   'Zn1 Re2 Ir1'
_cell_volume   58.97
_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
  Re  Re1  1  0.0  0.0  0.32  1.0
  Re  Re2  1  0.0  0.0  0.74  1.0
  Ir  Ir0  1  0.0  0.0  0.53  1.0

data_ZnRe2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   2.75
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnRe2Ir
_chemical_formula_sum   'Zn2 Re4 Ir2'
_cell_volume   117.94
_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
  Re  Re1  2  -0.0  0.0  0.26  1.0
  Re  Re2  2  0.0  0.0  0.68  1.0
  Ir  Ir3  2  -0.0  0.0  0.47  1.0

Zn Re Re Ir
Re2IrZn crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Zn(1) atom. The Re(1)-Ir(1) bond length is 1.88 Å. The Re(1)-Zn(1) bond length is 2.98 Å. In the second Re site, Re(2) is bonded in a distorted linear geometry to one Ir(1) and one Zn(1) atom. The Re(2)-Ir(1) bond length is 1.88 Å. The Re(2)-Zn(1) bond length is 2.41 Å. Ir(1) is bonded in a linear geometry to one Re(1) and one Re(2) atom. Zn(1) is bonded in a 8-coordinate geometry to one Re(1), one Re(2), and six equivalent Zn(1) atoms. All Zn(1)-Zn(1) bond lengths are 2.75 Å.