data_Sn5Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Hg3
_chemical_formula_sum   'Sn5 Hg3'
_cell_volume   214.21
_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  Sn3  1  0.0  0.0  0.0  1.0
  Sn  Sn4  1  0.21  0.39  0.0  1.0
  Sn  Sn5  1  0.21  0.61  0.0  1.0
  Sn  Sn6  1  0.23  0.0  0.53  1.0
  Sn  Sn7  1  0.61  0.0  0.53  1.0
  Hg  Hg0  1  0.42  0.0  0.0  1.0
  Hg  Hg1  1  0.42  0.62  0.53  1.0
  Hg  Hg2  1  0.42  0.38  0.53  1.0

data_Sn5Hg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   94.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Hg3
_chemical_formula_sum   'Sn5 Hg3'
_cell_volume   214.21
_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  0.21  0.39  1.0
  Sn  Sn1  1  -0.0  0.21  0.61  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.53  0.23  0.0  1.0
  Sn  Sn4  1  0.53  0.61  0.0  1.0
  Hg  Hg5  1  -0.0  0.42  0.0  1.0
  Hg  Hg6  1  0.53  0.42  0.38  1.0
  Hg  Hg7  1  0.53  0.42  0.62  1.0

Sn Sn Sn Sn Sn Hg Hg Hg
Hg3Sn5 crystallizes in the triclinic P1 space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 7-coordinate geometry to one Sn(1), one Sn(2), one Sn(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. The Hg(1)-Sn(1) bond length is 2.73 Å. The Hg(1)-Sn(2) bond length is 2.99 Å. The Hg(1)-Sn(3) bond length is 2.80 Å. There is one shorter (2.66 Å) and one longer (2.96 Å) Hg(1)-Sn(4) bond length. There is one shorter (2.66 Å) and one longer (2.96 Å) Hg(1)-Sn(5) bond length. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one Hg(3), one Sn(4), one Sn(5), and two equivalent Sn(3) atoms. The Hg(2)-Hg(3) bond length is 1.59 Å. The Hg(2)-Sn(4) bond length is 2.83 Å. The Hg(2)-Sn(5) bond length is 2.65 Å. There is one shorter (2.73 Å) and one longer (3.02 Å) Hg(2)-Sn(3) bond length. In the third Hg site, Hg(3) is bonded in a 5-coordinate geometry to one Hg(2), one Sn(4), one Sn(5), and two equivalent Sn(2) atoms. The Hg(3)-Sn(4) bond length is 2.65 Å. The Hg(3)-Sn(5) bond length is 2.83 Å. There is one shorter (2.74 Å) and one longer (3.03 Å) Hg(3)-Sn(2) bond length. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one Hg(1), one Sn(2), one Sn(3), one Sn(5), and two equivalent Sn(4) atoms. The Sn(1)-Sn(2) bond length is 2.80 Å. The Sn(1)-Sn(3) bond length is 2.99 Å. The Sn(1)-Sn(5) bond length is 3.49 Å. There is one shorter (2.81 Å) and one longer (3.10 Å) Sn(1)-Sn(4) bond length. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one Hg(1), two equivalent Hg(3), one Sn(1), and one Sn(3) atom. The Sn(2)-Sn(3) bond length is 1.40 Å. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Hg(1), two equivalent Hg(2), one Sn(1), and one Sn(2) atom. In the fourth Sn site, Sn(4) is bonded in a 7-coordinate geometry to one Hg(2), one Hg(3), two equivalent Hg(1), one Sn(5), and two equivalent Sn(1) atoms. The Sn(4)-Sn(5) bond length is 2.42 Å. In the fifth Sn site, Sn(5) is bonded in a 5-coordinate geometry to one Hg(2), one Hg(3), two equivalent Hg(1), one Sn(1), and one Sn(4) atom.