The crystal structure described by Re3Sn crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Re(1), four equivalent Re(2), and four equivalent Sn(1) atoms to form ReRe8Sn4 cuboctahedra that share corners with twelve equivalent Re(1)Re8Sn4 cuboctahedra, edges with eight equivalent Re(1)Re8Sn4 cuboctahedra, edges with eight equivalent Re(2)Re8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Re12 cuboctahedra, faces with four equivalent Re(2)Re8Sn4 cuboctahedra, faces with four equivalent Sn(1)Re12 cuboctahedra, and faces with ten equivalent Re(1)Re8Sn4 cuboctahedra. In the second Re site, Re(2) is bonded to eight equivalent Re(1) and four equivalent Sn(1) atoms to form ReRe8Sn4 cuboctahedra that share corners with four equivalent Re(2)Re8Sn4 cuboctahedra, corners with eight equivalent Sn(1)Re12 cuboctahedra, edges with eight equivalent Re(2)Re8Sn4 cuboctahedra, edges with sixteen equivalent Re(1)Re8Sn4 cuboctahedra, faces with four equivalent Re(2)Re8Sn4 cuboctahedra, faces with six equivalent Sn(1)Re12 cuboctahedra, and faces with eight equivalent Re(1)Re8Sn4 cuboctahedra. Sn(1) is bonded to four equivalent Re(2) and eight equivalent Re(1) atoms to form SnRe12 cuboctahedra that share corners with four equivalent Sn(1)Re12 cuboctahedra, corners with eight equivalent Re(2)Re8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Re12 cuboctahedra, edges with sixteen equivalent Re(1)Re8Sn4 cuboctahedra, faces with four equivalent Sn(1)Re12 cuboctahedra, faces with six equivalent Re(2)Re8Sn4 cuboctahedra, and faces with eight equivalent Re(1)Re8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   5.024
_cell_length_c   5.024
_cell_angle_alpha   133.797
_cell_angle_beta   133.797
_cell_angle_gamma   67.405
_symmetry_Int_Tables_number   1
_cell_volume   64.974
_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
  Re  Re0  1  0.750  0.250  0.500  1.0
  Re  Re1  1  0.250  0.750  0.500  1.0
  Re  Re2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Re3Sn crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Re(1), four equivalent Re(2), and four equivalent Sn(1) atoms to form ReRe8Sn4 cuboctahedra that share corners with twelve equivalent Re(1)Re8Sn4 cuboctahedra, edges with eight equivalent Re(1)Re8Sn4 cuboctahedra, edges with eight equivalent Re(2)Re8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Re12 cuboctahedra, faces with four equivalent Re(2)Re8Sn4 cuboctahedra, faces with four equivalent Sn(1)Re12 cuboctahedra, and faces with ten equivalent Re(1)Re8Sn4 cuboctahedra. In the second Re site, Re(2) is bonded to eight equivalent Re(1) and four equivalent Sn(1) atoms to form ReRe8Sn4 cuboctahedra that share corners with four equivalent Re(2)Re8Sn4 cuboctahedra, corners with eight equivalent Sn(1)Re12 cuboctahedra, edges with eight equivalent Re(2)Re8Sn4 cuboctahedra, edges with sixteen equivalent Re(1)Re8Sn4 cuboctahedra, faces with four equivalent Re(2)Re8Sn4 cuboctahedra, faces with six equivalent Sn(1)Re12 cuboctahedra, and faces with eight equivalent Re(1)Re8Sn4 cuboctahedra. Sn(1) is bonded to four equivalent Re(2) and eight equivalent Re(1) atoms to form SnRe12 cuboctahedra that share corners with four equivalent Sn(1)Re12 cuboctahedra, corners with eight equivalent Re(2)Re8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Re12 cuboctahedra, edges with sixteen equivalent Re(1)Re8Sn4 cuboctahedra, faces with four equivalent Sn(1)Re12 cuboctahedra, faces with six equivalent Re(2)Re8Sn4 cuboctahedra, and faces with eight equivalent Re(1)Re8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   5.024
_cell_length_c   5.024
_cell_angle_alpha   133.797
_cell_angle_beta   133.797
_cell_angle_gamma   67.405
_symmetry_Int_Tables_number   1
_cell_volume   64.974
_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
  Re  Re0  1  0.750  0.250  0.500  1.0
  Re  Re1  1  0.250  0.750  0.500  1.0
  Re  Re2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
.