data_[Pa8Al20Pt16]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.3693]
_cell_length_b [9.1839]
_cell_length_c [16.5460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pa2Al5Pt4]
_chemical_formula_sum '[Pa8 Al20 Pt16]'
_cell_volume [815.9056]
_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  0.0000  0.0000  0.1150  1
  Al  Al1  8  0.2500  0.2500  0.0000  1
  Al  Al2  8  0.2500  0.2500  0.2500  1
  Al  Al3  4  0.0000  0.0000  0.5000  1
  Pt  Pt4  16  0.0000  0.1610  0.3689  1
]