data_AlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.25
_cell_angle_alpha   99.33
_cell_angle_beta   99.33
_cell_angle_gamma   32.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2
_chemical_formula_sum   'Al2 Pd4'
_cell_volume   90.42
_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  0.87  0.0  0.98  1.0
  Al  Al1  1  0.61  0.0  0.27  1.0
  Pd  Pd2  1  0.68  0.0  0.2  1.0
  Pd  Pd3  1  0.75  0.0  0.57  1.0
  Pd  Pd4  1  0.99  0.0  0.62  1.0
  Pd  Pd5  1  0.95  0.0  0.96  1.0

data_AlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.24
_cell_length_c   6.25
_cell_angle_alpha   99.33
_cell_angle_beta   90.0
_cell_angle_gamma   106.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2
_chemical_formula_sum   'Al2 Pd4'
_cell_volume   90.42
_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  0.13  0.02  1.0
  Al  Al1  1  0.0  0.39  0.73  1.0
  Pd  Pd2  1  0.0  0.01  0.38  1.0
  Pd  Pd3  1  0.0  0.05  0.04  1.0
  Pd  Pd4  1  0.0  0.25  0.43  1.0
  Pd  Pd5  1  0.0  0.32  0.8  1.0

Al Al Pd Pd Pd Pd