data_CdSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2B
_chemical_formula_sum   'Cd1 Sn2 B1'
_cell_volume   89.25
_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
  Cd  Cd1  1  0.83  0.0  0.38  1.0
  Sn  Sn2  1  0.0  0.0  0.06  1.0
  Sn  Sn3  1  0.83  0.0  0.11  1.0
  B  B0  1  0.0  0.0  0.3  1.0

data_CdSn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2B
_chemical_formula_sum   'Cd1 Sn2 B1'
_cell_volume   89.25
_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
  Cd  Cd0  1  0.83  0.0  0.38  1.0
  Sn  Sn1  1  0.0  0.0  0.06  1.0
  Sn  Sn2  1  0.83  0.0  0.11  1.0
  B  B3  1  0.0  0.0  0.3  1.0

Cd Sn Sn B
CdBSn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CdBSn2 cluster. Cd(1) is bonded in a single-bond geometry to one B(1) atom. The Cd(1)-B(1) bond length is 0.91 Å. B(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Sn(2) atom. The B(1)-Sn(2) bond length is 1.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Sn(2) atom. The Sn(1)-Sn(2) bond length is 0.69 Å. In the second Sn site, Sn(2) is bonded in a water-like geometry to one B(1) and one Sn(1) atom.