data_In2FePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.31
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FePd
_chemical_formula_sum   'In2 Fe1 Pd1'
_cell_volume   69.03
_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
  In  In1  1  0.55  0.66  0.62  1.0
  In  In2  1  0.55  0.66  0.09  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.35  1.0

data_In2FePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.31
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FePd
_chemical_formula_sum   'In2 Fe1 Pd1'
_cell_volume   69.03
_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
  In  In0  1  0.55  0.66  0.09  1.0
  In  In1  1  0.55  0.66  0.62  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.35  1.0

In In Fe Pd
In In Fe Pd 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o + + 0 2 + + + 0 0 + o o 0 0 o + o 0 1 o o + 1 2 o + o 1 2 + + o 1 3 + + o 1 3 o + o 2 3 o o o 