data_AlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05
_cell_length_b   11.05
_cell_length_c   11.05
_cell_angle_alpha   164.75
_cell_angle_beta   164.75
_cell_angle_gamma   21.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2
_chemical_formula_sum   'Al2 Pd4'
_cell_volume   93.25
_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  0.0  0.0  1.0
  Al  Al1  1  0.0  0.47  0.43  1.0
  Pd  Pd2  1  0.0  0.0  0.37  1.0
  Pd  Pd3  1  0.47  0.0  0.91  1.0
  Pd  Pd4  1  0.0  0.0  0.33  1.0
  Pd  Pd5  1  0.47  0.0  0.94  1.0

data_AlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   11.05
_cell_angle_alpha   97.62
_cell_angle_beta   97.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2
_chemical_formula_sum   'Al2 Pd4'
_cell_volume   93.25
_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  0.0  0.0  1.0
  Al  Al1  1  0.96  0.43  0.96  1.0
  Pd  Pd2  1  0.33  0.33  0.33  1.0
  Pd  Pd3  1  0.37  0.37  0.37  1.0
  Pd  Pd4  1  0.91  0.44  0.44  1.0
  Pd  Pd5  1  0.94  0.48  0.48  1.0

Al Al Pd Pd Pd Pd