data_Na2ZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   2.89
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   125.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnIr
_chemical_formula_sum   'Na2 Zn1 Ir1'
_cell_volume   68.9
_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  Na1  1  0.62  0.42  0.26  1.0
  Na  Na2  1  0.62  0.58  0.26  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.66  0.0  0.0  1.0

data_Na2ZnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.64
_cell_length_c   5.8
_cell_angle_alpha   112.69
_cell_angle_beta   103.08
_cell_angle_gamma   93.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnIr
_chemical_formula_sum   'Na2 Zn1 Ir1'
_cell_volume   68.9
_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  0.68  0.42  0.04  1.0
  Na  Na1  1  0.83  0.58  0.19  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  -0.0  0.0  0.66  1.0

Na Na Zn Ir
Na2IrZn crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one Na(2), one Ir(1), and one Zn(1) atom. The Na(1)-Na(2) bond length is 0.87 Å. The Na(1)-Ir(1) bond length is 2.58 Å. The Na(1)-Zn(1) bond length is 2.68 Å. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Ir(1), and one Zn(1) atom. There is one shorter (2.62 Å) and one longer (2.72 Å) Na(2)-Ir(1) bond length. The Na(2)-Zn(1) bond length is 2.17 Å. Ir(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one Zn(1) atom. The Ir(1)-Zn(1) bond length is 1.97 Å. Zn(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), and one Ir(1) atom.