data_[Si8Pd32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.5065]
_cell_length_b [10.8313]
_cell_length_c [6.1076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [SiPd4]
_chemical_formula_sum '[Si8 Pd32]'
_cell_volume [628.8821]
_cell_formula_units_Z [8]
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
[
  Si  Si0  8  0.0000  0.0000  0.3229  1.0
  Pd  Pd1  16  0.0706  0.1132  0.6746  1.0
  Pd  Pd2  16  0.1145  0.1888  0.2400  1.0
]