data_AlFePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.73
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFePd2
_chemical_formula_sum   'Al1 Fe1 Pd2'
_cell_volume   57.2
_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  0.68  1.0
  Fe  Fe1  1  0.4  0.87  0.15  1.0
  Pd  Pd2  1  0.0  0.0  0.3  1.0
  Pd  Pd3  1  0.4  0.87  0.5  1.0

data_AlFePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.73
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFePd2
_chemical_formula_sum   'Al1 Fe1 Pd2'
_cell_volume   57.2
_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  0.68  1.0
  Fe  Fe1  1  0.4  0.87  0.15  1.0
  Pd  Pd2  1  0.0  0.0  0.3  1.0
  Pd  Pd3  1  0.4  0.87  0.5  1.0

Al Fe Pd Pd
Al Fe Pd Pd 0 3 o - o 1 2 o + o 1 3 o o o 2 3 o - o 