data_Al5Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   97.16
_cell_angle_beta   97.16
_cell_angle_gamma   138.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Pd3
_chemical_formula_sum   'Al10 Pd6'
_cell_volume   248.07
_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
  Al  Al0  1  0.88  0.0  0.3  1.0
  Al  Al1  1  0.0  0.88  0.3  1.0
  Al  Al2  1  0.72  0.57  0.0  1.0
  Al  Al3  1  0.16  0.31  0.6  1.0
  Al  Al4  1  0.72  0.19  0.6  1.0
  Al  Al5  1  0.16  0.69  0.0  1.0
  Al  Al6  1  0.69  0.6  0.0  1.0
  Al  Al7  1  0.19  0.28  0.6  1.0
  Al  Al8  1  0.19  0.72  0.0  1.0
  Al  Al9  1  0.69  0.16  0.6  1.0
  Pd  Pd10  1  0.0  0.0  0.91  1.0
  Pd  Pd11  1  0.0  0.0  0.3  1.0
  Pd  Pd12  1  0.63  0.25  0.0  1.0
  Pd  Pd13  1  0.25  0.63  0.6  1.0
  Pd  Pd14  1  0.51  0.63  0.0  1.0
  Pd  Pd15  1  0.37  0.25  0.6  1.0

data_Al5Pd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   82.84
_cell_angle_beta   69.33
_cell_angle_gamma   69.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Pd3
_chemical_formula_sum   'Al10 Pd6'
_cell_volume   248.07
_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
  Al  Al0  1  0.0  0.88  0.7  1.0
  Al  Al1  1  0.16  0.53  0.4  1.0
  Al  Al2  1  0.19  0.53  0.4  1.0
  Al  Al3  1  0.28  0.92  0.4  1.0
  Al  Al4  1  0.31  0.84  0.4  1.0
  Al  Al5  1  0.57  0.16  0.0  1.0
  Al  Al6  1  0.6  0.08  0.0  1.0
  Al  Al7  1  0.69  0.47  0.0  1.0
  Al  Al8  1  0.72  0.47  0.0  1.0
  Al  Al9  1  0.88  0.12  0.7  1.0
  Pd  Pd10  1  0.0  0.0  0.09  1.0
  Pd  Pd11  1  0.0  0.0  0.7  1.0
  Pd  Pd12  1  0.25  0.12  0.4  1.0
  Pd  Pd13  1  0.25  0.37  0.0  1.0
  Pd  Pd14  1  0.63  0.63  0.4  1.0
  Pd  Pd15  1  0.63  0.88  0.0  1.0

Al Al Al Al Al Al Al Al Al Al Pd Pd Pd Pd Pd Pd