data_[Pa8Al12Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5245]
_cell_length_b [25.0382]
_cell_length_c [6.9738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2Al3Au5]
_chemical_formula_sum '[Pa8 Al12 Au20]'
_cell_volume [790.0280]
_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  4  0.0000  0.1740  0.2532  1
  Pa  Pa1  4  0.0000  0.4864  0.2221  1
  Al  Al2  4  0.0000  0.0504  0.4239  1
  Al  Al3  4  0.0000  0.2230  0.7559  1
  Al  Al4  4  0.0000  0.3923  0.5249  1
  Au  Au5  4  0.0000  0.0519  0.0369  1
  Au  Au6  4  0.0000  0.1183  0.7133  1
  Au  Au7  4  0.0000  0.2888  0.0468  1
  Au  Au8  4  0.0000  0.2904  0.4677  1
  Au  Au9  4  0.0000  0.3965  0.9201  1
]