data_Sn3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28
_cell_length_b   9.28
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   41.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pd
_chemical_formula_sum   'Sn12 Pd4'
_cell_volume   372.96
_cell_formula_units_Z   4
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  Sn4  1  0.68  0.05  0.35  1.0
  Sn  Sn5  1  0.68  0.78  0.52  1.0
  Sn  Sn6  1  0.68  0.22  0.06  1.0
  Sn  Sn7  1  0.68  0.95  0.23  1.0
  Sn  Sn8  1  0.76  0.89  0.4  1.0
  Sn  Sn9  1  0.76  0.16  0.46  1.0
  Sn  Sn10  1  0.76  0.84  0.11  1.0
  Sn  Sn11  1  0.76  0.11  0.18  1.0
  Sn  Sn12  1  0.61  0.89  0.4  1.0
  Sn  Sn13  1  0.61  0.16  0.46  1.0
  Sn  Sn14  1  0.61  0.84  0.11  1.0
  Sn  Sn15  1  0.61  0.11  0.18  1.0
  Pd  Pd0  1  0.88  0.0  0.29  1.0
  Pd  Pd1  1  0.19  0.0  0.0  1.0
  Pd  Pd2  1  0.49  0.0  0.29  1.0
  Pd  Pd3  1  0.17  0.0  0.0  1.0

data_Sn3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.53
_cell_length_b   6.58
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   110.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pd
_chemical_formula_sum   'Sn12 Pd4'
_cell_volume   372.96
_cell_formula_units_Z   4
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  0.05  0.35  0.73  1.0
  Sn  Sn1  1  0.11  0.18  0.72  1.0
  Sn  Sn2  1  0.11  0.18  0.87  1.0
  Sn  Sn3  1  0.16  0.46  0.77  1.0
  Sn  Sn4  1  0.16  0.46  0.92  1.0
  Sn  Sn5  1  0.22  0.06  0.9  1.0
  Sn  Sn6  1  0.78  0.52  0.46  1.0
  Sn  Sn7  1  0.84  0.11  0.45  1.0
  Sn  Sn8  1  0.84  0.11  0.6  1.0
  Sn  Sn9  1  0.89  0.4  0.5  1.0
  Sn  Sn10  1  0.89  0.4  0.65  1.0
  Sn  Sn11  1  0.95  0.23  0.64  1.0
  Pd  Pd12  1  0.0  0.0  0.17  1.0
  Pd  Pd13  1  0.0  0.0  0.19  1.0
  Pd  Pd14  1  0.0  0.29  0.49  1.0
  Pd  Pd15  1  0.0  0.29  0.88  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Pd Pd Pd Pd
Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Pd Pd Pd Pd 0 3 o - o 0 4 o - o 0 11 o o o 0 9 o o o 1 8 o o o 2 7 o o o 3 6 o o o 3 4 o o o 3 11 o + o 5 12 o o o 5 9 o o o 6 10 o o o 7 12 o o o 8 14 o + o 10 14 o + o 13 15 o o o 