data_Fe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Pd
_chemical_formula_sum   'Fe4 Pd2'
_cell_volume   77.68
_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  0.0  0.0  0.56  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.42  0.28  1.0
  Fe  Fe3  1  0.09  0.21  0.84  1.0
  Pd  Pd4  1  0.0  0.42  0.84  1.0
  Pd  Pd5  1  0.09  0.21  0.28  1.0

data_Fe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Pd
_chemical_formula_sum   'Fe4 Pd2'
_cell_volume   77.68
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.56  1.0
  Fe  Fe2  1  0.0  0.42  0.28  1.0
  Fe  Fe3  1  0.09  0.21  0.84  1.0
  Pd  Pd4  1  0.0  0.42  0.84  1.0
  Pd  Pd5  1  0.09  0.21  0.28  1.0

Fe Fe Fe Fe Pd Pd