data_NbGaIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaIrAu
_chemical_formula_sum   'Nb1 Ga1 Ir1 Au1'
_cell_volume   66.42
_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  Nb3  1  0.21  0.21  0.21  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.82  0.82  0.82  1.0
  Au  Au0  1  0.61  0.61  0.61  1.0

data_NbGaIrAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbGaIrAu
_chemical_formula_sum   'Nb3 Ga3 Ir3 Au3'
_cell_volume   199.25
_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  0.79  1.0
  Ga  Ga1  3  0.0  0.0  0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.18  1.0
  Au  Au3  3  0.0  0.0  0.39  1.0

Nb Ga Ir Au
Nb Ga Ir Au 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 - - - 1 3 o - - 1 3 - o - 1 3 - - o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 o o + 
NbIrAuGa crystallizes in the trigonal R3m space group. Nb(1) is bonded in a 7-coordinate geometry to three equivalent Ir(1), three equivalent Au(1), and one Ga(1) atom. All Nb(1)-Ir(1) bond lengths are 2.71 Å. All Nb(1)-Au(1) bond lengths are 2.71 Å. The Nb(1)-Ga(1) bond length is 2.39 Å. Ir(1) is bonded in a 5-coordinate geometry to three equivalent Nb(1), four equivalent Au(1), and one Ga(1) atom. There is one shorter (2.39 Å) and three longer (2.94 Å) Ir(1)-Au(1) bond lengths. The Ir(1)-Ga(1) bond length is 1.99 Å. Au(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), four equivalent Ir(1), and three equivalent Ga(1) atoms. All Au(1)-Ga(1) bond lengths are 2.71 Å. Ga(1) is bonded in a 5-coordinate geometry to one Nb(1), one Ir(1), and three equivalent Au(1) atoms.