data_Sn3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   97.63
_cell_angle_beta   97.63
_cell_angle_gamma   137.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pd5
_chemical_formula_sum   'Sn6 Pd10'
_cell_volume   289.05
_cell_formula_units_Z   2
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  Sn10  1  0.0  0.0  0.4  1.0
  Sn  Sn11  1  0.0  0.0  0.21  1.0
  Sn  Sn12  1  0.65  0.42  0.81  1.0
  Sn  Sn13  1  0.42  0.65  0.0  1.0
  Sn  Sn14  1  0.65  0.73  0.0  1.0
  Sn  Sn15  1  0.42  0.35  0.81  1.0
  Pd  Pd0  1  0.0  0.07  0.4  1.0
  Pd  Pd1  1  0.07  0.0  0.4  1.0
  Pd  Pd2  1  0.84  0.83  0.0  1.0
  Pd  Pd3  1  0.23  0.24  0.81  1.0
  Pd  Pd4  1  0.77  0.24  0.0  1.0
  Pd  Pd5  1  0.3  0.83  0.81  1.0
  Pd  Pd6  1  0.9  0.77  0.0  1.0
  Pd  Pd7  1  0.17  0.3  0.81  1.0
  Pd  Pd8  1  0.24  0.77  0.81  1.0
  Pd  Pd9  1  0.83  0.3  0.0  1.0

data_Sn3Pd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   82.37
_cell_angle_beta   68.64
_cell_angle_gamma   68.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pd5
_chemical_formula_sum   'Sn6 Pd10'
_cell_volume   289.05
_cell_formula_units_Z   2
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  0.0  0.0  0.6  1.0
  Sn  Sn1  1  0.0  0.0  0.79  1.0
  Sn  Sn2  1  0.35  0.07  0.19  1.0
  Sn  Sn3  1  0.42  0.23  0.19  1.0
  Sn  Sn4  1  0.65  0.77  0.0  1.0
  Sn  Sn5  1  0.73  0.93  0.0  1.0
  Pd  Pd6  1  0.0  0.07  0.6  1.0
  Pd  Pd7  1  0.07  0.93  0.6  1.0
  Pd  Pd8  1  0.24  0.53  -0.0  1.0
  Pd  Pd9  1  0.24  0.99  0.19  1.0
  Pd  Pd10  1  0.3  0.53  -0.0  1.0
  Pd  Pd11  1  0.3  0.87  0.19  1.0
  Pd  Pd12  1  0.77  0.13  0.0  1.0
  Pd  Pd13  1  0.77  0.47  0.19  1.0
  Pd  Pd14  1  0.83  0.01  0.0  1.0
  Pd  Pd15  1  0.83  0.47  0.19  1.0

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