data_AlSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Hg
_chemical_formula_sum   'Al1 Sn2 Hg1'
_cell_volume   99.11
_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
  Sn  Sn2  1  0.84  0.84  0.84  1.0
  Sn  Sn3  1  0.51  0.51  0.51  1.0
  Hg  Hg1  1  0.67  0.67  0.67  1.0

data_AlSn2Hg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlSn2Hg
_chemical_formula_sum   'Al3 Sn6 Hg3'
_cell_volume   297.34
_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
  Sn  Sn1  3  0.0  0.0  0.16  1.0
  Sn  Sn2  3  0.0  0.0  0.49  1.0
  Hg  Hg3  3  0.0  0.0  0.33  1.0

Al Sn Sn Hg
HgAlSn2 crystallizes in the trigonal R3m space group. Hg(1) is bonded to three equivalent Al(1), one Sn(1), and one Sn(2) atom to form HgAl3Sn2 trigonal bipyramids that share corners with six equivalent Hg(1)Al3Sn2 trigonal bipyramids and  a cornercorner with one Al(1)SnHg3 trigonal pyramid. All Hg(1)-Al(1) bond lengths are 3.00 Å. The Hg(1)-Sn(1) bond length is 2.08 Å. The Hg(1)-Sn(2) bond length is 2.08 Å. Al(1) is bonded to three equivalent Hg(1) and one Sn(1) atom to form distorted AlSnHg3 trigonal pyramids that share  a cornercorner with one Hg(1)Al3Sn2 trigonal bipyramid and corners with six equivalent Al(1)SnHg3 trigonal pyramids. The Al(1)-Sn(1) bond length is 2.08 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted linear geometry to one Hg(1) and one Al(1) atom. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Hg(1) atom.