data_Fe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   6.74
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Pd
_chemical_formula_sum   'Fe4 Pd2'
_cell_volume   71.29
_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
  Fe  Fe0  1  0.5  0.33  0.0  1.0
  Fe  Fe1  1  0.07  0.4  0.0  1.0
  Fe  Fe2  1  0.79  0.04  0.06  1.0
  Fe  Fe3  1  0.78  0.7  0.06  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.29  0.37  0.06  1.0

data_Fe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.11
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Pd
_chemical_formula_sum   'Fe4 Pd2'
_cell_volume   71.29
_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
  Fe  Fe0  1  0.21  0.94  0.96  1.0
  Fe  Fe1  1  0.22  0.94  0.3  1.0
  Fe  Fe2  1  0.5  -0.0  0.67  1.0
  Fe  Fe3  1  0.93  -0.0  0.6  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.71  0.94  0.63  1.0

Fe Fe Fe Fe Pd Pd