data_Sn4S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   133.43
_cell_angle_beta   133.43
_cell_angle_gamma   67.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4S
_chemical_formula_sum   'Sn4 S1'
_cell_volume   148.34
_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  Sn1  1  0.61  0.0  0.73  1.0
  Sn  Sn2  1  0.0  0.61  0.73  1.0
  Sn  Sn3  1  0.0  0.0  0.83  1.0
  Sn  Sn4  1  0.0  0.0  0.09  1.0
  S  S0  1  0.0  0.0  0.0  1.0

data_Sn4S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   123.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn4S
_chemical_formula_sum   'Sn8 S2'
_cell_volume   296.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.2  0.2  0.13  1.0
  Sn  Sn1  2  0.0  0.0  0.09  1.0
  Sn  Sn2  2  0.0  0.0  0.83  1.0
  S  S3  2  0.0  0.0  0.0  1.0

Sn Sn Sn Sn S
Sn4S is Cubane-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sn4S clusters. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one S(1) atom. The Sn(1)-S(1) bond length is 1.89 Å. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one S(1) atom. The Sn(2)-S(1) bond length is 1.09 Å. In the third Sn site, Sn(3) is bonded in a single-bond geometry to one S(1) atom. The Sn(3)-S(1) bond length is 0.62 Å. S(1) is bonded in a 1-coordinate geometry to one Sn(2), one Sn(3), and two equivalent Sn(1) atoms.