data_NaAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlIr
_chemical_formula_sum   'Na1 Al1 Ir1'
_cell_volume   51.94
_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  0.0  0.0  0.74  1.0
  Al  Al0  1  1.0  0.66  0.29  1.0
  Ir  Ir1  1  0.44  0.83  0.2  1.0

data_NaAlIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlIr
_chemical_formula_sum   'Na1 Al1 Ir1'
_cell_volume   51.94
_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  0.0  0.74  1.0
  Al  Al1  1  1.0  0.66  0.29  1.0
  Ir  Ir2  1  0.44  0.83  0.2  1.0

Na Al Ir
Na Al Ir 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - - o 1 2 + o o 
NaIrAl crystallizes in the triclinic P1 space group. Na(1) is bonded in a 9-coordinate geometry to six equivalent Na(1), two equivalent Ir(1), and one Al(1) atom. All Na(1)-Na(1) bond lengths are 2.88 Å. There is one shorter (3.65 Å) and one longer (3.70 Å) Na(1)-Ir(1) bond length. The Na(1)-Al(1) bond length is 3.41 Å. Ir(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and three equivalent Al(1) atoms. There are a spread of Ir(1)-Al(1) bond distances ranging from 1.26-2.20 Å. Al(1) is bonded in a 3-coordinate geometry to one Na(1) and three equivalent Ir(1) atoms.