data_Cu5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5Sn
_chemical_formula_sum   'Cu5 Sn1'
_cell_volume   81.04
_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
  Cu  Cu0  1  0.01  0.0  0.16  1.0
  Cu  Cu1  1  0.82  0.42  0.16  1.0
  Cu  Cu2  1  0.5  0.6  0.16  1.0
  Cu  Cu3  1  0.33  0.34  0.0  1.0
  Cu  Cu4  1  0.0  0.68  0.0  1.0
  Sn  Sn5  1  0.0  0.0  0.0  1.0

data_Cu5Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5Sn
_chemical_formula_sum   'Cu5 Sn1'
_cell_volume   81.04
_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
  Cu  Cu0  1  -0.0  0.33  0.34  1.0
  Cu  Cu1  1  -0.0  0.0  0.68  1.0
  Cu  Cu2  1  0.16  0.01  0.0  1.0
  Cu  Cu3  1  0.16  0.5  0.6  1.0
  Cu  Cu4  1  0.16  0.82  0.42  1.0
  Sn  Sn5  1  0.0  0.0  0.0  1.0

Cu Cu Cu Cu Cu Sn
Cu5Sn is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cu5Sn cluster. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Sn(1) atom. The Cu(1)-Sn(1) bond length is 0.71 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Cu(5) atom. The Cu(2)-Cu(5) bond length is 1.28 Å. In the third Cu site, Cu(3) is bonded in a distorted single-bond geometry to one Cu(4) atom. The Cu(3)-Cu(4) bond length is 1.28 Å. In the fourth Cu site, Cu(4) is bonded in a 2-coordinate geometry to one Cu(3) and one Sn(1) atom. The Cu(4)-Sn(1) bond length is 1.55 Å. In the fifth Cu site, Cu(5) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one Sn(1) atom. The Cu(5)-Sn(1) bond length is 1.47 Å. Sn(1) is bonded in a single-bond geometry to one Cu(1), one Cu(4), and one Cu(5) atom.