data_[Pr8Al20Ag12]
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 [Ibam]
_cell_length_a [10.8509]
_cell_length_b [12.5350]
_cell_length_c [6.1754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Al5Ag3]
_chemical_formula_sum '[Pr8 Al20 Ag12]'
_cell_volume [839.9609]
_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  8  0.2376  0.3705  0.5000  1.0
  Al  Al1  8  0.0000  0.2327  0.2500  1.0
  Al  Al2  8  0.1483  0.1135  0.5000  1.0
  Al  Al3  4  0.0000  0.5000  0.2500  1.0
  Ag  Ag4  8  0.1184  0.3678  0.0000  1.0
  Ag  Ag5  4  0.0000  0.0000  0.2500  1.0
]