data_[Si8Pd36]
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 [Pnma]
_cell_length_a [9.1205]
_cell_length_b [7.4772]
_cell_length_c [9.4838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Si2Pd9]
_chemical_formula_sum '[Si8 Pd36]'
_cell_volume [646.7555]
_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
[
  Si  Si0  4  0.1330  0.7500  0.7877  1
  Si  Si1  4  0.2275  0.2500  0.6781  1
  Pd  Pd2  8  0.1027  0.0658  0.1809  1
  Pd  Pd3  8  0.1119  0.5573  0.5930  1
  Pd  Pd4  8  0.1820  0.0591  0.8785  1
  Pd  Pd5  4  0.0501  0.7500  0.3351  1
  Pd  Pd6  4  0.0588  0.7500  0.0294  1
  Pd  Pd7  4  0.1481  0.2500  0.4324  1
]