data_[Pr16Al24Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.7541]
_cell_length_b [9.2586]
_cell_length_c [16.1049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr2Al3Ag]
_chemical_formula_sum '[Pr16 Al24 Ag8]'
_cell_volume [1156.2048]
_cell_formula_units_Z [8]
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
[
  Pr  Pr0  8  0.2427  0.0000  0.5000  1.0
  Pr  Pr1  8  0.2500  0.2500  0.2500  1.0
  Al  Al2  16  0.0000  0.2469  0.0834  1.0
  Al  Al3  8  0.0000  0.0000  0.1643  1.0
  Ag  Ag4  8  0.0000  0.0000  0.3320  1.0
]