data_BaSnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.89
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnCl2
_chemical_formula_sum   'Ba1 Sn1 Cl2'
_cell_volume   129.07
_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
  Ba  Ba0  1  0.01  0.0  0.2  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.76  0.44  0.8  1.0
  Cl  Cl2  1  0.26  0.44  0.61  1.0

data_BaSnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.89
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnCl2
_chemical_formula_sum   'Ba1 Sn1 Cl2'
_cell_volume   129.07
_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
  Ba  Ba0  1  0.01  0.0  0.2  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.26  0.44  0.61  1.0
  Cl  Cl3  1  0.76  0.44  0.8  1.0

Ba Sn Cl Cl
Ba Sn Cl Cl 0 1 o o o 1 2 - o - 2 3 o o o 2 3 + o o 
BaSnCl2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to one Sn(1) and two equivalent Cl(2) atoms. The Ba(1)-Sn(1) bond length is 1.31 Å. There is one shorter (3.50 Å) and one longer (3.87 Å) Ba(1)-Cl(2) bond length. Sn(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Cl(1) atom. The Sn(1)-Cl(1) bond length is 2.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Sn(1) and two equivalent Cl(2) atoms. Both Cl(1)-Cl(2) bond lengths are 2.42 Å. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Cl(1) atoms.