data_Sn2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   144.96
_cell_angle_beta   144.96
_cell_angle_gamma   50.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BPd
_chemical_formula_sum   'Sn2 B1 Pd1'
_cell_volume   77.64
_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  Sn2  1  0.0  0.0  0.6  1.0
  Sn  Sn3  1  0.86  0.0  0.8  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.86  0.8  1.0

data_Sn2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   6.19
_cell_angle_alpha   107.52
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BPd
_chemical_formula_sum   'Sn2 B1 Pd1'
_cell_volume   77.64
_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  Sn0  1  0.6  0.6  0.6  1.0
  Sn  Sn1  1  0.8  0.94  0.94  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.94  0.8  0.94  1.0

Sn Sn B Pd
Sn Sn B Pd 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o + 2 3 o - - 
PdBSn2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PdBSn2 cluster. Pd(1) is bonded in a 2-coordinate geometry to one B(1), one Sn(1), and one Sn(2) atom. The Pd(1)-B(1) bond length is 0.73 Å. The Pd(1)-Sn(1) bond length is 2.00 Å. The Pd(1)-Sn(2) bond length is 0.73 Å. B(1) is bonded in a 2-coordinate geometry to one Pd(1) and one Sn(2) atom. The B(1)-Sn(2) bond length is 0.73 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Pd(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.00 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Pd(1), one B(1), and one Sn(1) atom.