data_[Pr4Al8Ag36]
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 [I4_1/amd]
_cell_length_a [11.3776]
_cell_length_b [11.3776]
_cell_length_c [7.1694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [PrAl2Ag9]
_chemical_formula_sum '[Pr4 Al8 Ag36]'
_cell_volume [928.0829]
_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
[
  Pr  Pr0  4  0.0000  0.0000  0.5000  1
  Al  Al1  8  0.0000  0.2500  0.1250  1
  Ag  Ag2  32  0.1216  0.1997  0.8073  1
  Ag  Ag3  4  0.0000  0.0000  0.0000  1
]