data_Fe3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   5.21
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pd
_chemical_formula_sum   'Fe6 Pd2'
_cell_volume   104.18
_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  0.1  1.0
  Fe  Fe1  1  0.17  0.32  0.93  1.0
  Fe  Fe2  1  0.0  0.28  0.67  1.0
  Fe  Fe3  1  0.17  0.61  0.5  1.0
  Fe  Fe4  1  0.17  0.89  0.93  1.0
  Fe  Fe5  1  0.0  0.93  0.67  1.0
  Pd  Pd6  1  0.17  0.0  0.62  1.0
  Pd  Pd7  1  0.0  0.61  0.98  1.0

data_Fe3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.6
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pd
_chemical_formula_sum   'Fe6 Pd2'
_cell_volume   104.18
_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  0.33  0.07  1.0
  Fe  Fe1  1  0.0  0.33  0.72  1.0
  Fe  Fe2  1  0.0  0.9  0.0  1.0
  Fe  Fe3  1  0.83  0.07  0.11  1.0
  Fe  Fe4  1  0.83  0.07  0.68  1.0
  Fe  Fe5  1  0.83  0.5  0.39  1.0
  Pd  Pd6  1  0.0  0.02  0.39  1.0
  Pd  Pd7  1  0.83  0.38  0.0  1.0

Fe Fe Fe Fe Fe Fe Pd Pd
Fe Fe Fe Fe Fe Fe Pd Pd 0 4 o - - 1 2 o o o 1 7 o o o 1 3 o o o 2 6 o o o 2 3 o o o 3 7 o o - 3 7 o o o 3 5 o o o 3 6 o + o 3 4 o o o 4 5 o o o 4 6 o + o 4 7 o o o 5 6 o + o 