data_LiTlSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlSnHg
_chemical_formula_sum   'Li1 Tl1 Sn1 Hg1'
_cell_volume   100.14
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.53  0.53  0.53  1.0
  Sn  Sn2  1  0.69  0.69  0.69  1.0
  Hg  Hg0  1  0.84  0.84  0.84  1.0

data_LiTlSnHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiTlSnHg
_chemical_formula_sum   'Li3 Tl3 Sn3 Hg3'
_cell_volume   300.41
_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
  Li  Li0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.47  1.0
  Sn  Sn2  3  0.0  0.0  0.31  1.0
  Hg  Hg3  3  0.0  0.0  0.16  1.0

Li Tl Sn Hg
LiHgTlSn crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted single-bond geometry to one Hg(1) and three equivalent Sn(1) atoms. The Li(1)-Hg(1) bond length is 2.01 Å. All Li(1)-Sn(1) bond lengths are 3.02 Å. Hg(1) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Tl(1), and one Sn(1) atom. All Hg(1)-Tl(1) bond lengths are 3.02 Å. The Hg(1)-Sn(1) bond length is 2.01 Å. Tl(1) is bonded to three equivalent Hg(1) and one Sn(1) atom to form distorted TlSnHg3 trigonal pyramids that share corners with three equivalent Sn(1)Li3TlHg trigonal bipyramids and corners with six equivalent Tl(1)SnHg3 trigonal pyramids. The Tl(1)-Sn(1) bond length is 2.01 Å. Sn(1) is bonded to three equivalent Li(1), one Hg(1), and one Tl(1) atom to form SnLi3TlHg trigonal bipyramids that share corners with six equivalent Sn(1)Li3TlHg trigonal bipyramids and corners with three equivalent Tl(1)SnHg3 trigonal pyramids.