data_SnHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   141.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg5
_chemical_formula_sum   'Sn1 Hg5'
_cell_volume   155.8
_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
  Sn  Sn5  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.34  0.49  0.45  1.0
  Hg  Hg1  1  0.34  0.72  0.0  1.0
  Hg  Hg2  1  0.34  0.0  0.45  1.0
  Hg  Hg3  1  0.34  0.28  0.0  1.0
  Hg  Hg4  1  0.34  0.51  0.45  1.0

data_SnHg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.9
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg5
_chemical_formula_sum   'Sn1 Hg5'
_cell_volume   155.8
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.55  0.66  1.0
  Hg  Hg2  1  0.28  -0.0  0.94  1.0
  Hg  Hg3  1  0.49  0.55  0.14  1.0
  Hg  Hg4  1  0.51  0.55  0.17  1.0
  Hg  Hg5  1  0.72  0.0  0.38  1.0

Sn Hg Hg Hg Hg Hg
Sn Hg Hg Hg Hg Hg 0 4 o o o 0 2 - - o 0 3 o o o 0 3 o o - 1 5 o o o 1 2 o o + 1 2 o o o 1 3 o o o 1 3 o + o 2 3 o + - 2 3 o + o 2 5 o o - 2 5 o o o 2 4 o o o 3 4 o o o 3 4 o o + 3 5 o o o 3 5 o - o 
Hg5Sn crystallizes in the triclinic P1 space group. There are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Hg(5) atom. The Hg(1)-Hg(5) bond length is 0.20 Å. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Hg(4), two equivalent Hg(3), two equivalent Hg(5), and one Sn(1) atom. The Hg(2)-Hg(4) bond length is 3.13 Å. There is one shorter (3.00 Å) and one longer (3.37 Å) Hg(2)-Hg(3) bond length. There is one shorter (2.65 Å) and one longer (3.06 Å) Hg(2)-Hg(5) bond length. The Hg(2)-Sn(1) bond length is 3.36 Å. In the third Hg site, Hg(3) is bonded in a 5-coordinate geometry to two equivalent Hg(2), two equivalent Hg(4), and one Sn(1) atom. There is one shorter (3.00 Å) and one longer (3.37 Å) Hg(3)-Hg(4) bond length. The Hg(3)-Sn(1) bond length is 3.31 Å. In the fourth Hg site, Hg(4) is bonded in a single-bond geometry to one Hg(2), two equivalent Hg(3), and one Sn(1) atom. The Hg(4)-Sn(1) bond length is 1.52 Å. In the fifth Hg site, Hg(5) is bonded in a single-bond geometry to one Hg(1) and two equivalent Hg(2) atoms. Sn(1) is bonded in a single-bond geometry to one Hg(2), one Hg(3), and one Hg(4) atom.