data_[Pr20Tl8Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.7546]
_cell_length_b [8.7569]
_cell_length_c [7.6948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(TlAg)2]
_chemical_formula_sum '[Pr20 Tl8 Ag8]'
_cell_volume [1128.9794]
_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  16  0.1351  0.1838  0.6578  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2114  0.0000  0.0000  1.0
  Ag  Ag3  8  0.0000  0.1256  0.3759  1.0
]