data_AlFePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   148.09
_cell_angle_beta   129.74
_cell_angle_gamma   60.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFePd2
_chemical_formula_sum   'Al1 Fe1 Pd2'
_cell_volume   56.95
_cell_formula_units_Z   1
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  0.52  1.0
  Fe  Fe1  1  0.0  0.21  0.14  1.0
  Pd  Pd2  1  0.0  0.0  0.91  1.0
  Pd  Pd3  1  0.43  0.0  0.41  1.0

data_AlFePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.42
_cell_length_c   5.21
_cell_angle_alpha   115.13
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFePd2
_chemical_formula_sum   'Al1 Fe1 Pd2'
_cell_volume   56.95
_cell_formula_units_Z   1
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  0.52  0.52  1.0
  Fe  Fe1  1  0.79  0.93  0.93  1.0
  Pd  Pd2  1  0.0  0.41  0.98  1.0
  Pd  Pd3  1  0.0  0.91  0.91  1.0

Al Fe Pd Pd