data_LiCaSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaSnHg
_chemical_formula_sum   'Li1 Ca1 Sn1 Hg1'
_cell_volume   98.19
_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
  Ca  Ca0  1  0.49  0.49  0.49  1.0
  Sn  Sn3  1  0.66  0.66  0.66  1.0
  Hg  Hg1  1  0.83  0.83  0.83  1.0

data_LiCaSnHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiCaSnHg
_chemical_formula_sum   'Li3 Ca3 Sn3 Hg3'
_cell_volume   294.56
_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
  Ca  Ca1  3  0.0  0.0  0.51  1.0
  Sn  Sn2  3  0.0  0.0  0.34  1.0
  Hg  Hg3  3  0.0  0.0  0.17  1.0

Li Ca Sn Hg
LiCaHgSn crystallizes in the trigonal R3m space group. Li(1) is bonded to one Hg(1) and three equivalent Sn(1) atoms to form distorted LiSn3Hg trigonal pyramids that share  a cornercorner with one Sn(1)Li3CaHg trigonal bipyramid, corners with three equivalent Hg(1)LiCa3Sn trigonal bipyramids, corners with six equivalent Li(1)Sn3Hg trigonal pyramids, and edges with three equivalent Ca(1)SnHg3 trigonal pyramids. The Li(1)-Hg(1) bond length is 2.15 Å. All Li(1)-Sn(1) bond lengths are 2.99 Å. Ca(1) is bonded to three equivalent Hg(1) and one Sn(1) atom to form distorted CaSnHg3 trigonal pyramids that share  a cornercorner with one Hg(1)LiCa3Sn trigonal bipyramid, corners with three equivalent Sn(1)Li3CaHg trigonal bipyramids, corners with six equivalent Ca(1)SnHg3 trigonal pyramids, and edges with three equivalent Li(1)Sn3Hg trigonal pyramids. All Ca(1)-Hg(1) bond lengths are 2.99 Å. The Ca(1)-Sn(1) bond length is 2.15 Å. Hg(1) is bonded to one Li(1), three equivalent Ca(1), and one Sn(1) atom to form HgLiCa3Sn trigonal bipyramids that share corners with six equivalent Hg(1)LiCa3Sn trigonal bipyramids,  a cornercorner with one Ca(1)SnHg3 trigonal pyramid, corners with three equivalent Li(1)Sn3Hg trigonal pyramids, and edges with three equivalent Sn(1)Li3CaHg trigonal bipyramids. The Hg(1)-Sn(1) bond length is 2.15 Å. Sn(1) is bonded to three equivalent Li(1), one Ca(1), and one Hg(1) atom to form distorted SnLi3CaHg trigonal bipyramids that share corners with six equivalent Sn(1)Li3CaHg trigonal bipyramids,  a cornercorner with one Li(1)Sn3Hg trigonal pyramid, corners with three equivalent Ca(1)SnHg3 trigonal pyramids, and edges with three equivalent Hg(1)LiCa3Sn trigonal bipyramids.