data_Na2IrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.16
_cell_angle_alpha   106.37
_cell_angle_beta   106.37
_cell_angle_gamma   29.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2IrCl
_chemical_formula_sum   'Na2 Ir1 Cl1'
_cell_volume   79.18
_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
  Na  Na2  1  0.26  0.0  0.29  1.0
  Na  Na3  1  0.37  0.0  0.4  1.0
  Ir  Ir1  1  0.33  0.0  0.12  1.0
  Cl  Cl0  1  0.25  0.0  0.59  1.0

data_Na2IrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.16
_cell_length_c   5.68
_cell_angle_alpha   106.37
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2IrCl
_chemical_formula_sum   'Na2 Ir1 Cl1'
_cell_volume   79.18
_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
  Na  Na0  1  0.0  0.29  0.26  1.0
  Na  Na1  1  0.0  0.4  0.37  1.0
  Ir  Ir2  1  0.0  0.12  0.33  1.0
  Cl  Cl3  1  0.0  0.59  0.25  1.0

Na Na Ir Cl
Na2IrCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Na2IrCl cluster. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted water-like geometry to one Na(2) and one Ir(1) atom. The Na(1)-Na(2) bond length is 0.73 Å. The Na(1)-Ir(1) bond length is 1.07 Å. In the second Na site, Na(2) is bonded in a distorted L-shaped geometry to one Na(1) and one Cl(1) atom. The Na(2)-Cl(1) bond length is 1.32 Å. Ir(1) is bonded in a distorted single-bond geometry to one Na(1) atom. Cl(1) is bonded in a distorted single-bond geometry to one Na(2) atom.