data_AlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.77
_cell_angle_alpha   108.39
_cell_angle_beta   108.39
_cell_angle_gamma   35.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd
_chemical_formula_sum   'Al3 Pd3'
_cell_volume   89.2
_cell_formula_units_Z   3
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  0.83  0.0  0.32  1.0
  Al  Al1  1  0.73  0.0  0.1  1.0
  Al  Al2  1  0.1  0.0  0.69  1.0
  Pd  Pd3  1  0.55  0.0  0.2  1.0
  Pd  Pd4  1  0.34  0.0  0.58  1.0
  Pd  Pd5  1  0.29  0.0  0.35  1.0

data_AlPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.92
_cell_length_c   6.77
_cell_angle_alpha   108.39
_cell_angle_beta   90.0
_cell_angle_gamma   107.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd
_chemical_formula_sum   'Al3 Pd3'
_cell_volume   89.2
_cell_formula_units_Z   3
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  0.17  0.68  1.0
  Al  Al1  1  0.0  0.27  0.9  1.0
  Al  Al2  1  0.0  0.9  0.31  1.0
  Pd  Pd3  1  0.0  0.45  0.8  1.0
  Pd  Pd4  1  0.0  0.66  0.42  1.0
  Pd  Pd5  1  0.0  0.71  0.65  1.0

Al Al Al Pd Pd Pd