data_AlPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.9
_cell_length_b   4.07
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd5
_chemical_formula_sum   'Al4 Pd20'
_cell_volume   364.02
_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
  Al  Al0  1  0.04  0.05  0.92  1.0
  Al  Al1  1  0.3  0.02  0.03  1.0
  Al  Al2  1  0.85  0.02  0.3  1.0
  Al  Al3  1  0.59  0.05  0.19  1.0
  Pd  Pd4  1  0.46  0.02  0.8  1.0
  Pd  Pd5  1  0.22  0.05  0.87  1.0
  Pd  Pd6  1  0.66  0.02  0.47  1.0
  Pd  Pd7  1  0.24  0.05  0.75  1.0
  Pd  Pd8  1  0.11  0.02  0.86  1.0
  Pd  Pd9  1  0.68  0.02  0.35  1.0
  Pd  Pd10  1  0.98  0.05  0.91  1.0
  Pd  Pd11  1  0.77  0.02  0.7  1.0
  Pd  Pd12  1  0.21  0.02  0.62  1.0
  Pd  Pd13  1  0.67  0.05  0.46  1.0
  Pd  Pd14  1  0.01  0.05  0.16  1.0
  Pd  Pd15  1  0.68  0.05  0.59  1.0
  Pd  Pd16  1  0.91  0.02  0.31  1.0
  Pd  Pd17  1  0.43  0.05  0.42  1.0
  Pd  Pd18  1  0.23  0.02  0.76  1.0
  Pd  Pd19  1  0.79  0.05  0.36  1.0
  Pd  Pd20  1  0.89  0.02  0.06  1.0
  Pd  Pd21  1  0.13  0.05  0.52  1.0
  Pd  Pd22  1  0.44  0.02  0.26  1.0
  Pd  Pd23  1  0.45  0.05  0.95  1.0

data_AlPd5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.07
_cell_length_b   8.22
_cell_length_c   10.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlPd5
_chemical_formula_sum   'Al4 Pd20'
_cell_volume   364.02
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.08  0.15  1.0
  Al  Al1  2  0.02  0.81  0.59  1.0
  Pd  Pd2  2  0.02  0.05  0.56  1.0
  Pd  Pd3  2  0.02  0.25  0.34  1.0
  Pd  Pd4  2  0.02  0.31  0.98  1.0
  Pd  Pd5  2  0.02  0.35  0.22  1.0
  Pd  Pd6  2  0.02  0.41  0.68  1.0
  Pd  Pd7  2  0.02  0.48  0.23  1.0
  Pd  Pd8  2  0.02  0.64  0.79  1.0
  Pd  Pd9  2  0.02  0.76  0.77  1.0
  Pd  Pd10  2  0.02  0.8  0.54  1.0
  Pd  Pd11  2  0.02  0.84  0.01  1.0

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