data_LaAlSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlSnHg
_chemical_formula_sum   'La1 Al1 Sn1 Hg1'
_cell_volume   103.82
_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
  La  La2  1  0.87  0.87  0.87  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.73  0.73  0.73  1.0
  Hg  Hg1  1  0.6  0.6  0.6  1.0

data_LaAlSnHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   12.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaAlSnHg
_chemical_formula_sum   'La3 Al3 Sn3 Hg3'
_cell_volume   311.47
_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
  La  La0  3  0.0  0.0  0.13  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.27  1.0
  Hg  Hg3  3  0.0  0.0  0.4  1.0

La Al Sn Hg
La Al Sn Hg 0 2 o o o 0 1 + + + 2 3 o o o 
LaHgAlSn crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted linear geometry to three equivalent Hg(1), one Al(1), and one Sn(1) atom. All La(1)-Hg(1) bond lengths are 3.16 Å. The La(1)-Al(1) bond length is 1.74 Å. The La(1)-Sn(1) bond length is 1.74 Å. Hg(1) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Sn(1) atom. The Hg(1)-Sn(1) bond length is 1.74 Å. Al(1) is bonded in a single-bond geometry to one La(1) atom. Sn(1) is bonded in a 2-coordinate geometry to one La(1) and one Hg(1) atom.