data_Fe2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PPd
_chemical_formula_sum   'Fe2 P1 Pd1'
_cell_volume   51.81
_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
  Fe  Fe0  1  0.25  0.12  0.38  1.0
  Fe  Fe1  1  0.25  0.88  0.38  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.5  0.0  0.0  1.0

data_Fe2PPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   112.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PPd
_chemical_formula_sum   'Fe2 P1 Pd1'
_cell_volume   51.81
_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
  Fe  Fe0  1  0.38  0.25  0.12  1.0
  Fe  Fe1  1  0.38  0.25  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.5  0.0  1.0

Fe Fe P Pd