data_FeIr4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr4Au
_chemical_formula_sum   'Fe1 Ir4 Au1'
_cell_volume   96.48
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.55  0.55  0.73  1.0
  Ir  Ir3  1  0.55  0.73  0.55  1.0
  Ir  Ir4  1  0.73  0.55  0.55  1.0
  Ir  Ir5  1  0.73  0.73  0.73  1.0
  Au  Au0  1  0.46  0.46  0.46  1.0

data_FeIr4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   FeIr4Au
_chemical_formula_sum   'Fe3 Ir12 Au3'
_cell_volume   289.45
_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
  Fe  Fe0  3  0.0  0.0  0.0  1.0
  Ir  Ir1  9  0.06  0.12  0.39  1.0
  Ir  Ir2  3  0.0  0.0  0.27  1.0
  Au  Au3  3  0.0  0.0  0.54  1.0

Fe Ir Ir Ir Ir Au
FeIr4Au crystallizes in the trigonal R3m space group. Fe(1) is bonded in a 13-coordinate geometry to four equivalent Ir(2), six equivalent Ir(1), and three equivalent Au(1) atoms. There are three shorter (3.07 Å) and one longer (3.42 Å) Fe(1)-Ir(2) bond length. All Fe(1)-Ir(1) bond lengths are 2.84 Å. All Fe(1)-Au(1) bond lengths are 3.38 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to two equivalent Fe(1), one Ir(2), two equivalent Ir(1), and two equivalent Au(1) atoms. The Ir(1)-Ir(2) bond length is 1.57 Å. Both Ir(1)-Ir(1) bond lengths are 0.91 Å. There is one shorter (1.97 Å) and one longer (3.36 Å) Ir(1)-Au(1) bond length. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), three equivalent Ir(1), and three equivalent Au(1) atoms. All Ir(2)-Au(1) bond lengths are 3.08 Å. Au(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Ir(2), and six equivalent Ir(1) atoms.