data_Al2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34
_cell_length_b   12.34
_cell_length_c   12.34
_cell_angle_alpha   161.92
_cell_angle_beta   161.92
_cell_angle_gamma   25.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Pd
_chemical_formula_sum   'Al8 Pd4'
_cell_volume   180.97
_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  0.94  0.0  0.03  1.0
  Al  Al1  1  0.94  0.0  0.0  1.0
  Al  Al2  1  0.0  0.0  0.05  1.0
  Al  Al3  1  0.0  0.0  0.02  1.0
  Al  Al4  1  0.94  0.0  0.07  1.0
  Al  Al5  1  0.94  0.0  0.97  1.0
  Al  Al6  1  0.0  0.0  0.08  1.0
  Al  Al7  1  0.0  0.0  0.99  1.0
  Pd  Pd8  1  0.0  0.94  0.14  1.0
  Pd  Pd9  1  0.0  0.94  0.9  1.0
  Pd  Pd10  1  0.0  0.0  0.19  1.0
  Pd  Pd11  1  0.0  0.0  0.88  1.0

data_Al2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   12.34
_cell_angle_alpha   99.04
_cell_angle_beta   99.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Pd
_chemical_formula_sum   'Al8 Pd4'
_cell_volume   180.97
_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  0.01  0.0  0.01  1.0
  Al  Al1  1  0.03  0.0  0.97  1.0
  Al  Al2  1  0.92  0.0  0.92  1.0
  Al  Al3  1  0.93  0.0  0.87  1.0
  Al  Al4  1  0.95  0.0  0.95  1.0
  Al  Al5  1  0.97  0.0  0.91  1.0
  Al  Al6  1  0.98  0.0  0.98  1.0
  Al  Al7  1  1.0  0.0  0.94  1.0
  Pd  Pd8  1  0.04  0.94  0.04  1.0
  Pd  Pd9  1  0.12  0.0  0.12  1.0
  Pd  Pd10  1  0.8  0.94  0.8  1.0
  Pd  Pd11  1  0.81  0.0  0.81  1.0

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