data_NaIrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   150.04
_cell_angle_beta   127.78
_cell_angle_gamma   61.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIrBr
_chemical_formula_sum   'Na1 Ir1 Br1'
_cell_volume   67.29
_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  0.08  1.0
  Ir  Ir1  1  0.0  0.0  0.84  1.0
  Br  Br0  1  0.0  0.0  0.21  1.0

data_NaIrBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.89
_cell_length_c   5.56
_cell_angle_alpha   116.11
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIrBr
_chemical_formula_sum   'Na1 Ir1 Br1'
_cell_volume   67.29
_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  0.08  0.08  1.0
  Ir  Ir1  1  0.0  0.84  0.84  1.0
  Br  Br2  1  0.0  0.21  0.21  1.0

Na Ir Br
Na Ir Br 0 2 o o o 0 1 o o - 
NaIrBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaIrBr cluster. Na(1) is bonded in a distorted linear geometry to one Ir(1) and one Br(1) atom. The Na(1)-Ir(1) bond length is 1.36 Å. The Na(1)-Br(1) bond length is 0.69 Å. Ir(1) is bonded in a single-bond geometry to one Na(1) atom. Br(1) is bonded in a single-bond geometry to one Na(1) atom.