data_[Pa8Si12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9766]
_cell_length_b [11.0002]
_cell_length_c [5.8328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pa2Si3Pd5]
_chemical_formula_sum '[Pa8 Si12 Pd20]'
_cell_volume [704.2840]
_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
[
  Pa  Pa0  8  0.1368  0.2770  0.5000  1
  Si  Si1  8  0.1354  0.3785  0.0000  1
  Si  Si2  4  0.0000  0.0000  0.2500  1
  Pd  Pd3  8  0.0903  0.1626  0.0000  1
  Pd  Pd4  8  0.2333  0.0000  0.2500  1
  Pd  Pd5  4  0.0000  0.5000  0.2500  1
]