data_NbGa3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa3Ir
_chemical_formula_sum   'Nb1 Ga3 Ir1'
_cell_volume   105.91
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.37  0.0  0.37  1.0
  Ga  Ga3  1  0.37  0.37  0.0  1.0
  Ga  Ga4  1  0.0  0.37  0.37  1.0
  Ir  Ir1  1  0.37  0.37  0.37  1.0

data_NbGa3Ir
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbGa3Ir
_chemical_formula_sum   'Nb3 Ga9 Ir3'
_cell_volume   317.73
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Nb  Nb0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  9  0.09  0.54  0.91  1.0
  Ir  Ir2  3  0.0  0.0  0.37  1.0

Nb Ga Ga Ga Ir
NbIrGa3 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three NbIrGa3 clusters. Nb(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) atoms. All Nb(1)-Ga(1) bond lengths are 2.45 Å. Ir(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) atoms. All Ir(1)-Ga(1) bond lengths are 1.73 Å. Ga(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Ir(1) atom.