data_GaSnBiAu
_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   GaSnBiAu
_chemical_formula_sum   'Ga1 Sn1 Bi1 Au1'
_cell_volume   96.38
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.46  0.46  0.46  1.0
  Bi  Bi1  1  0.82  0.82  0.82  1.0
  Au  Au0  1  0.64  0.64  0.64  1.0

data_GaSnBiAu
_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   GaSnBiAu
_chemical_formula_sum   'Ga3 Sn3 Bi3 Au3'
_cell_volume   289.13
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.54  1.0
  Bi  Bi2  3  0.0  0.0  0.18  1.0
  Au  Au3  3  0.0  0.0  0.36  1.0

Ga Sn Bi Au
Ga Sn Bi Au 0 2 - - - 1 3 o o o 2 3 o o o 
AuGaSnBi crystallizes in the trigonal R3m space group. Au(1) is bonded to three equivalent Ga(1), one Sn(1), and one Bi(1) atom to form distorted AuGa3SnBi trigonal bipyramids that share corners with six equivalent Au(1)Ga3SnBi trigonal bipyramids and  a cornercorner with one Ga(1)BiAu3 trigonal pyramid. All Au(1)-Ga(1) bond lengths are 2.99 Å. The Au(1)-Sn(1) bond length is 2.28 Å. The Au(1)-Bi(1) bond length is 2.28 Å. Ga(1) is bonded to three equivalent Au(1) and one Bi(1) atom to form distorted GaBiAu3 trigonal pyramids that share  a cornercorner with one Au(1)Ga3SnBi trigonal bipyramid and corners with six equivalent Ga(1)BiAu3 trigonal pyramids. The Ga(1)-Bi(1) bond length is 2.28 Å. Sn(1) is bonded in a distorted single-bond geometry to one Au(1) atom. Bi(1) is bonded in a distorted linear geometry to one Au(1) and one Ga(1) atom.