data_[Fe8Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3058]
_cell_length_b [4.7306]
_cell_length_c [7.1501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe2Pd5]
_chemical_formula_sum '[Fe8 Pd20]'
_cell_volume [415.0593]
_cell_formula_units_Z [4]
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  8  0.0775  0.3220  0.1048  1.0
  Pd  Pd1  8  0.1316  0.1782  0.4575  1.0
  Pd  Pd2  8  0.2147  0.3329  0.8223  1.0
  Pd  Pd3  4  0.0000  0.2009  0.7500  1.0
]