data_SnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnCl
_chemical_formula_sum   'Sn2 Cl2'
_cell_volume   98.42
_cell_formula_units_Z   2
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  Sn2  1  0.66  0.66  0.66  1.0
  Sn  Sn3  1  0.5  0.5  0.5  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.83  0.83  0.83  1.0

data_SnCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnCl
_chemical_formula_sum   'Sn6 Cl6'
_cell_volume   295.26
_cell_formula_units_Z   6
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
  Sn  Sn0  3  0.0  0.0  0.34  1.0
  Sn  Sn1  3  0.0  0.0  0.5  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0
  Cl  Cl3  3  0.0  0.0  0.17  1.0

Sn Sn Cl Cl
SnCl crystallizes in the trigonal R3m space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to one Sn(2), one Cl(2), and three equivalent Cl(1) atoms. The Sn(1)-Sn(2) bond length is 2.13 Å. The Sn(1)-Cl(2) bond length is 2.13 Å. All Sn(1)-Cl(1) bond lengths are 2.99 Å. In the second Sn site, Sn(2) is bonded to one Sn(1) and three equivalent Cl(2) atoms to form SnSnCl3 trigonal pyramids that share corners with six equivalent Sn(2)SnCl3 trigonal pyramids and edges with three equivalent Cl(1)Sn3Cl trigonal pyramids. All Sn(2)-Cl(2) bond lengths are 2.99 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Sn(1) and one Cl(2) atom to form ClSn3Cl trigonal pyramids that share corners with six equivalent Cl(1)Sn3Cl trigonal pyramids and edges with three equivalent Sn(2)SnCl3 trigonal pyramids. The Cl(1)-Cl(2) bond length is 2.13 Å. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Sn(1), three equivalent Sn(2), and one Cl(1) atom.