data_Al2HgBi
_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   Al2HgBi
_chemical_formula_sum   'Al2 Hg1 Bi1'
_cell_volume   96.37
_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  0.46  0.46  0.46  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.64  0.64  0.64  1.0
  Bi  Bi2  1  0.82  0.82  0.82  1.0

data_Al2HgBi
_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   Al2HgBi
_chemical_formula_sum   'Al6 Hg3 Bi3'
_cell_volume   289.1
_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
  Al  Al1  3  0.0  0.0  0.54  1.0
  Hg  Hg2  3  0.0  0.0  0.36  1.0
  Bi  Bi3  3  0.0  0.0  0.18  1.0

Al Al Hg Bi
Al Al Hg Bi 0 2 o o o 1 3 - - - 2 3 o o o 
HgAl2Bi crystallizes in the trigonal R3m space group. Hg(1) is bonded to one Al(1), three equivalent Al(2), and one Bi(1) atom to form distorted HgAl4Bi trigonal bipyramids that share corners with six equivalent Hg(1)Al4Bi trigonal bipyramids,  a cornercorner with one Al(2)Hg3Bi trigonal pyramid, corners with three equivalent Al(1)HgBi3 trigonal pyramids, and edges with three equivalent Bi(1)Al4Hg trigonal bipyramids. The Hg(1)-Al(1) bond length is 2.28 Å. All Hg(1)-Al(2) bond lengths are 2.99 Å. The Hg(1)-Bi(1) bond length is 2.28 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one Hg(1) and three equivalent Bi(1) atoms to form distorted AlHgBi3 trigonal pyramids that share  a cornercorner with one Bi(1)Al4Hg trigonal bipyramid, corners with three equivalent Hg(1)Al4Bi trigonal bipyramids, corners with six equivalent Al(1)HgBi3 trigonal pyramids, and edges with three equivalent Al(2)Hg3Bi trigonal pyramids. All Al(1)-Bi(1) bond lengths are 2.99 Å. In the second Al site, Al(2) is bonded to three equivalent Hg(1) and one Bi(1) atom to form distorted AlHg3Bi trigonal pyramids that share  a cornercorner with one Hg(1)Al4Bi trigonal bipyramid, corners with three equivalent Bi(1)Al4Hg trigonal bipyramids, corners with six equivalent Al(2)Hg3Bi trigonal pyramids, and edges with three equivalent Al(1)HgBi3 trigonal pyramids. The Al(2)-Bi(1) bond length is 2.28 Å. Bi(1) is bonded to one Hg(1), one Al(2), and three equivalent Al(1) atoms to form distorted BiAl4Hg trigonal bipyramids that share corners with six equivalent Bi(1)Al4Hg trigonal bipyramids,  a cornercorner with one Al(1)HgBi3 trigonal pyramid, corners with three equivalent Al(2)Hg3Bi trigonal pyramids, and edges with three equivalent Hg(1)Al4Bi trigonal bipyramids.