data_Sn2BiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   151.05
_cell_angle_beta   136.4
_cell_angle_gamma   53.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiPd
_chemical_formula_sum   'Sn2 Bi1 Pd1'
_cell_volume   100.8
_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  0.5  0.68  1.0
  Sn  Sn3  1  0.68  0.0  0.33  1.0
  Bi  Bi0  1  0.0  0.0  0.01  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Sn2BiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.99
_cell_length_c   6.72
_cell_angle_alpha   111.8
_cell_angle_beta   104.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiPd
_chemical_formula_sum   'Sn2 Bi1 Pd1'
_cell_volume   100.8
_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  0.32  0.81  0.81  1.0
  Sn  Sn1  1  0.35  0.67  0.35  1.0
  Bi  Bi2  1  0.99  0.99  0.99  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Sn Sn Bi Pd
Sn Sn Bi Pd 0 3 o + + 0 2 o + + 0 1 - + + 0 1 - o o 1 1 o + + 1 3 o o o 1 3 + o + 1 2 o o o 1 2 + o + 2 3 o o o 
PdSn2Bi crystallizes in the triclinic P1 space group. Pd(1) is bonded in a single-bond geometry to two equivalent Sn(2) and one Bi(1) atom. There is one shorter (3.32 Å) and one longer (3.34 Å) Pd(1)-Sn(2) bond length. The Pd(1)-Bi(1) bond length is 0.07 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted water-like geometry to one Sn(2) and two equivalent Bi(1) atoms. The Sn(1)-Sn(2) bond length is 2.93 Å. There is one shorter (1.81 Å) and one longer (2.28 Å) Sn(1)-Bi(1) bond length. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Pd(1), one Sn(1), and two equivalent Sn(2) atoms. Both Sn(2)-Sn(2) bond lengths are 3.36 Å. Bi(1) is bonded in a single-bond geometry to one Pd(1) and two equivalent Sn(1) atoms.