data_InAsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsAu
_chemical_formula_sum   'In1 As1 Au1'
_cell_volume   69.89
_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
  In  In2  1  0.27  0.27  0.27  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.63  0.63  0.63  1.0

data_InAsAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InAsAu
_chemical_formula_sum   'In3 As3 Au3'
_cell_volume   209.68
_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
  In  In0  3  0.0  0.0  0.73  1.0
  As  As1  3  0.0  0.0  0.0  1.0
  Au  Au2  3  0.0  0.0  0.37  1.0

In As Au
AuInAs crystallizes in the trigonal R3m space group. Au(1) is bonded in a hexagonal planar geometry to three equivalent In(1) and three equivalent As(1) atoms. All Au(1)-In(1) bond lengths are 2.69 Å. All Au(1)-As(1) bond lengths are 2.69 Å. In(1) is bonded to three equivalent Au(1) and four equivalent As(1) atoms to form InAs4Au3 hexagonal pyramids that share corners with three equivalent As(1)In4Au3 hexagonal pyramids, corners with six equivalent In(1)As4Au3 hexagonal pyramids, edges with three equivalent As(1)In4Au3 hexagonal pyramids, and edges with six equivalent In(1)As4Au3 hexagonal pyramids. There are three shorter (2.77 Å) and one longer (3.05 Å) In(1)-As(1) bond length. As(1) is bonded to three equivalent Au(1) and four equivalent In(1) atoms to form AsIn4Au3 hexagonal pyramids that share corners with three equivalent In(1)As4Au3 hexagonal pyramids, corners with six equivalent As(1)In4Au3 hexagonal pyramids, edges with three equivalent In(1)As4Au3 hexagonal pyramids, and edges with six equivalent As(1)In4Au3 hexagonal pyramids.