data_[Li8Pa4Al40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.3158]
_cell_length_b [12.5772]
_cell_length_c [13.2463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li2PaAl10]
_chemical_formula_sum '[Li8 Pa4 Al40]'
_cell_volume [885.6229]
_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
[
  Li  Li0  8  0.2500  0.0000  0.2500  1
  Pa  Pa1  4  0.0000  0.0000  0.0000  1
  Al  Al2  16  0.0000  0.1070  0.3898  1
  Al  Al3  16  0.0000  0.1751  0.1762  1
  Al  Al4  8  0.2500  0.2500  0.0000  1
]