data_LiLaSnHg
_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   LiLaSnHg
_chemical_formula_sum   'Li1 La1 Sn1 Hg1'
_cell_volume   100.37
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  La  La1  1  0.84  0.84  0.84  1.0
  Sn  Sn3  1  0.53  0.53  0.53  1.0
  Hg  Hg0  1  0.69  0.69  0.69  1.0

data_LiLaSnHg
_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   LiLaSnHg
_chemical_formula_sum   'Li3 La3 Sn3 Hg3'
_cell_volume   301.12
_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
  La  La1  3  0.0  0.0  0.16  1.0
  Sn  Sn2  3  0.0  0.0  0.47  1.0
  Hg  Hg3  3  0.0  0.0  0.31  1.0

Li La Sn Hg
Li La Sn Hg 0 1 - - - 1 3 o o o 2 3 o o o 
LiLaHgSn crystallizes in the trigonal R3m space group. Li(1) is bonded to one La(1) and three equivalent Hg(1) atoms to form LiLaHg3 trigonal pyramids that share  a cornercorner with one Hg(1)Li3LaSn trigonal bipyramid, corners with six equivalent Li(1)LaHg3 trigonal pyramids, and edges with three equivalent Sn(1)La3Hg trigonal pyramids. The Li(1)-La(1) bond length is 1.99 Å. All Li(1)-Hg(1) bond lengths are 3.02 Å. La(1) is bonded in a 5-coordinate geometry to one Li(1), one Hg(1), and three equivalent Sn(1) atoms. The La(1)-Hg(1) bond length is 1.99 Å. All La(1)-Sn(1) bond lengths are 3.02 Å. Hg(1) is bonded to three equivalent Li(1), one La(1), and one Sn(1) atom to form distorted HgLi3LaSn trigonal bipyramids that share corners with six equivalent Hg(1)Li3LaSn trigonal bipyramids,  a cornercorner with one Li(1)LaHg3 trigonal pyramid, and corners with three equivalent Sn(1)La3Hg trigonal pyramids. The Hg(1)-Sn(1) bond length is 1.99 Å. Sn(1) is bonded to three equivalent La(1) and one Hg(1) atom to form SnLa3Hg trigonal pyramids that share corners with three equivalent Hg(1)Li3LaSn trigonal bipyramids, corners with six equivalent Sn(1)La3Hg trigonal pyramids, and edges with three equivalent Li(1)LaHg3 trigonal pyramids.