data_Re5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Sn
_chemical_formula_sum   'Re5 Sn1'
_cell_volume   99.74
_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  0.52  0.52  0.52  1.0
  Re  Re1  1  0.61  0.61  0.76  1.0
  Re  Re2  1  0.76  0.61  0.61  1.0
  Re  Re3  1  0.61  0.76  0.61  1.0
  Re  Re4  1  0.76  0.76  0.76  1.0
  Sn  Sn5  1  0.0  0.0  0.0  1.0

data_Re5Sn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re5Sn
_chemical_formula_sum   'Re15 Sn3'
_cell_volume   299.23
_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
  Re  Re0  9  0.05  0.1  0.34  1.0
  Re  Re1  3  0.0  0.0  0.24  1.0
  Re  Re2  3  0.0  0.0  0.48  1.0
  Sn  Sn3  3  0.0  0.0  0.0  1.0

Re Re Re Re Re Sn
Re5Sn crystallizes in the trigonal R3m space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to three equivalent Re(2) and three equivalent Re(3) atoms. All Re(1)-Re(2) bond lengths are 1.78 Å. All Re(1)-Re(3) bond lengths are 3.26 Å. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to one Re(1), one Re(3), two equivalent Re(2), and two equivalent Sn(1) atoms. The Re(2)-Re(3) bond length is 1.35 Å. Both Re(2)-Re(2) bond lengths are 0.78 Å. Both Re(2)-Sn(1) bond lengths are 2.81 Å. In the third Re site, Re(3) is bonded in a 3-coordinate geometry to three equivalent Re(1), three equivalent Re(2), and one Sn(1) atom. The Re(3)-Sn(1) bond length is 3.12 Å. Sn(1) is bonded in a 7-coordinate geometry to one Re(3) and six equivalent Re(2) atoms.