data_[Al4Fe4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [9.4269]
_cell_length_b [8.6931]
_cell_length_c [6.8369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlFePd5]
_chemical_formula_sum '[Al4 Fe4 Pd20]'
_cell_volume [483.6229]
_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
[
  Al  Al0  4  0.0000  0.4809  0.7500  1
  Fe  Fe1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1068  0.2778  0.4718  1
  Pd  Pd3  8  0.2054  0.4144  0.1509  1
  Pd  Pd4  4  0.0000  0.2062  0.7500  1
]