data_Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn
_chemical_formula_sum   Sn8
_cell_volume   226.19
_cell_formula_units_Z   8
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
  Sn  Sn1  1  0.05  0.52  0.0  1.0
  Sn  Sn2  1  0.05  0.57  0.0  1.0
  Sn  Sn3  1  0.0  0.05  0.52  1.0
  Sn  Sn4  1  0.52  0.0  0.05  1.0
  Sn  Sn5  1  0.57  0.0  0.05  1.0
  Sn  Sn6  1  0.05  0.05  0.05  1.0
  Sn  Sn7  1  0.0  0.05  0.57  1.0

data_Sn
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.62
_cell_length_b   8.62
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Sn
_chemical_formula_sum   Sn24
_cell_volume   678.57
_cell_formula_units_Z   24
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Sn  Sn0  9  0.0  0.48  0.52  1.0
  Sn  Sn1  9  0.03  0.49  0.54  1.0
  Sn  Sn2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.05  1.0

Sn Sn Sn Sn Sn Sn Sn Sn
Sn crystallizes in the trigonal R3 space group. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Sn(4) and three equivalent Sn(3) atoms. The Sn(1)-Sn(4) bond length is 0.49 Å. All Sn(1)-Sn(3) bond lengths are 2.64 Å. In the second Sn site, Sn(2) is bonded in a distorted linear geometry to one Sn(3) and one Sn(4) atom. The Sn(2)-Sn(3) bond length is 0.28 Å. The Sn(2)-Sn(4) bond length is 2.92 Å. In the third Sn site, Sn(3) is bonded in a distorted linear geometry to one Sn(1) and one Sn(2) atom. In the fourth Sn site, Sn(4) is bonded in a single-bond geometry to one Sn(1) and three equivalent Sn(2) atoms.