data_NaZn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Ir
_chemical_formula_sum   'Na1 Zn2 Ir1'
_cell_volume   61.55
_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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.59  0.61  0.51  1.0
  Zn  Zn3  1  0.59  0.39  0.51  1.0
  Ir  Ir0  1  0.17  0.0  0.0  1.0

data_NaZn2Ir
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.01
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   NaZn2Ir
_chemical_formula_sum   'Na1 Zn2 Ir1'
_cell_volume   61.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  1.0
  Zn  Zn1  2  0.5  0.39  0.41  1.0
  Ir  Ir2  1  0.0  0.0  0.83  1.0

Na Zn Zn Ir
NaIrZn2 crystallizes in the monoclinic Pm space group. Na(1) is bonded in a single-bond geometry to one Ir(1) and four equivalent Zn(1) atoms. The Na(1)-Ir(1) bond length is 0.79 Å. There are two shorter (2.97 Å) and two longer (2.99 Å) Na(1)-Zn(1) bond lengths. Ir(1) is bonded in a single-bond geometry to one Na(1) and four equivalent Zn(1) atoms. There are two shorter (2.97 Å) and two longer (2.99 Å) Ir(1)-Zn(1) bond lengths. Zn(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Ir(1), and one Zn(1) atom. The Zn(1)-Zn(1) bond length is 0.99 Å.