data_AlGaSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaSnBi
_chemical_formula_sum   'Al1 Ga1 Sn1 Bi1'
_cell_volume   100.47
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.53  0.53  0.53  1.0
  Sn  Sn3  1  0.69  0.69  0.69  1.0
  Bi  Bi1  1  0.84  0.84  0.84  1.0

data_AlGaSnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlGaSnBi
_chemical_formula_sum   'Al3 Ga3 Sn3 Bi3'
_cell_volume   301.41
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.47  1.0
  Sn  Sn2  3  0.0  0.0  0.31  1.0
  Bi  Bi3  3  0.0  0.0  0.16  1.0

Al Ga Sn Bi
Al Ga Sn Bi 0 3 - - - 1 2 o o o 2 3 o o o 
GaAlSnBi crystallizes in the trigonal R3m space group. Ga(1) is bonded to one Sn(1) and three equivalent Bi(1) atoms to form distorted GaSnBi3 trigonal pyramids that share corners with three equivalent Sn(1)Al3GaBi trigonal bipyramids and corners with six equivalent Ga(1)SnBi3 trigonal pyramids. The Ga(1)-Sn(1) bond length is 1.98 Å. All Ga(1)-Bi(1) bond lengths are 3.03 Å. Al(1) is bonded in a distorted single-bond geometry to three equivalent Sn(1) and one Bi(1) atom. All Al(1)-Sn(1) bond lengths are 3.03 Å. The Al(1)-Bi(1) bond length is 1.98 Å. Sn(1) is bonded to one Ga(1), three equivalent Al(1), and one Bi(1) atom to form distorted SnAl3GaBi trigonal bipyramids that share corners with six equivalent Sn(1)Al3GaBi trigonal bipyramids and corners with three equivalent Ga(1)SnBi3 trigonal pyramids. The Sn(1)-Bi(1) bond length is 1.98 Å. Bi(1) is bonded in a distorted linear geometry to three equivalent Ga(1), one Al(1), and one Sn(1) atom.