data_Y2IrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2IrCl
_chemical_formula_sum   'Y2 Ir1 Cl1'
_cell_volume   92.09
_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
  Y  Y2  1  0.69  0.69  0.73  1.0
  Y  Y3  1  0.69  0.69  0.33  1.0
  Ir  Ir1  1  0.0  0.0  0.03  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Y2IrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2IrCl
_chemical_formula_sum   'Y4 Ir2 Cl2'
_cell_volume   184.17
_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
  Y  Y0  2  0.19  0.5  0.33  1.0
  Y  Y1  2  0.19  0.5  0.73  1.0
  Ir  Ir2  2  0.0  0.0  0.03  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Y Y Ir Cl
Y Y Ir Cl 0 3 o + + 0 3 + o + 0 3 + + + 0 2 o + + 0 2 + o + 0 2 + + + 0 0 + o o 0 0 o + o 0 1 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 o o o 
Y2IrCl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2IrCl clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Y(1)-Cl(1) bond length is 2.61 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Y(2)-Ir(1) bond length is 2.81 Å. Ir(1) is bonded in a single-bond geometry to one Y(2) and one Cl(1) atom. The Ir(1)-Cl(1) bond length is 0.25 Å. Cl(1) is bonded in a single-bond geometry to one Y(1) and one Ir(1) atom.