data_FePd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd5
_chemical_formula_sum   'Fe1 Pd5'
_cell_volume   88.16
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.21  0.0  0.25  1.0
  Pd  Pd2  1  0.77  0.34  0.25  1.0
  Pd  Pd3  1  0.4  0.78  0.25  1.0
  Pd  Pd4  1  0.38  0.37  0.0  1.0
  Pd  Pd5  1  0.0  0.75  0.0  1.0

data_FePd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd5
_chemical_formula_sum   'Fe1 Pd5'
_cell_volume   88.16
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.75  1.0
  Pd  Pd2  1  0.0  0.38  0.37  1.0
  Pd  Pd3  1  0.25  0.21  0.0  1.0
  Pd  Pd4  1  0.25  0.4  0.78  1.0
  Pd  Pd5  1  0.25  0.77  0.34  1.0

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