data_ZrIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIr5
_chemical_formula_sum   'Zr1 Ir5'
_cell_volume   92.63
_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
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.97  0.08  0.96  1.0
  Ir  Ir1  1  0.97  0.99  0.0  1.0
  Ir  Ir2  1  0.97  0.0  0.96  1.0
  Ir  Ir3  1  0.97  0.01  0.0  1.0
  Ir  Ir4  1  0.97  0.92  0.96  1.0

data_ZrIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.94
_cell_length_c   6.3
_cell_angle_alpha   108.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIr5
_chemical_formula_sum   'Zr1 Ir5'
_cell_volume   92.63
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.01  0.98  1.0
  Ir  Ir2  1  0.0  0.99  0.96  1.0
  Ir  Ir3  1  0.96  0.0  0.97  1.0
  Ir  Ir4  1  0.96  0.08  0.05  1.0
  Ir  Ir5  1  0.96  0.92  0.89  1.0

Zr Ir Ir Ir Ir Ir
ZrIr5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrIr5 cluster. Zr(1) is bonded in a single-bond geometry to one Ir(2) and one Ir(5) atom. The Zr(1)-Ir(2) bond length is 0.14 Å. The Zr(1)-Ir(5) bond length is 0.39 Å. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to one Ir(3) and one Ir(4) atom. The Ir(1)-Ir(3) bond length is 0.49 Å. The Ir(1)-Ir(4) bond length is 0.46 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Zr(1) and one Ir(3) atom. The Ir(2)-Ir(3) bond length is 0.15 Å. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one Ir(1), one Ir(2), and one Ir(4) atom. The Ir(3)-Ir(4) bond length is 0.15 Å. In the fourth Ir site, Ir(4) is bonded in a single-bond geometry to one Ir(1) and one Ir(3) atom. In the fifth Ir site, Ir(5) is bonded in a single-bond geometry to one Zr(1) atom.