data_LiAlHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlHgPb
_chemical_formula_sum   'Li1 Al1 Hg1 Pb1'
_cell_volume   95.06
_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
  Al  Al0  1  0.81  0.81  0.81  1.0
  Hg  Hg1  1  0.43  0.43  0.43  1.0
  Pb  Pb3  1  0.62  0.62  0.62  1.0

data_LiAlHgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiAlHgPb
_chemical_formula_sum   'Li3 Al3 Hg3 Pb3'
_cell_volume   285.19
_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
  Al  Al1  3  0.0  0.0  0.19  1.0
  Hg  Hg2  3  0.0  0.0  0.57  1.0
  Pb  Pb3  3  0.0  0.0  0.38  1.0

Li Al Hg Pb
Li Al Hg Pb 0 1 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 + o o 1 2 o + o 1 2 o o + 2 3 o o o 
LiHgAlPb crystallizes in the trigonal R3m space group. Li(1) is bonded in a 7-coordinate geometry to three equivalent Hg(1), one Al(1), and three equivalent Pb(1) atoms. All Li(1)-Hg(1) bond lengths are 3.21 Å. The Li(1)-Al(1) bond length is 2.37 Å. All Li(1)-Pb(1) bond lengths are 3.01 Å. Hg(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), three equivalent Al(1), and one Pb(1) atom. All Hg(1)-Al(1) bond lengths are 3.01 Å. The Hg(1)-Pb(1) bond length is 2.37 Å. Al(1) is bonded in a distorted linear geometry to one Li(1), three equivalent Hg(1), and one Pb(1) atom. The Al(1)-Pb(1) bond length is 2.37 Å. Pb(1) is bonded to three equivalent Li(1), one Hg(1), and one Al(1) atom to form distorted corner-sharing PbLi3AlHg trigonal bipyramids.