data_[Pr13Tl2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8414]
_cell_length_b [9.1386]
_cell_length_c [9.3186]
_cell_angle_alpha [65.1728]
_cell_angle_beta [81.2548]
_cell_angle_gamma [81.9628]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr13Tl2]
_chemical_formula_sum '[Pr13 Tl2]'
_cell_volume [520.7417]
_cell_formula_units_Z [1]
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  2  0.0975  0.4335  0.7512  1.0
  Pr  Pr1  2  0.1929  0.1960  0.2104  1.0
  Pr  Pr2  2  0.2855  0.9651  0.6352  1.0
  Pr  Pr3  2  0.2982  0.6220  0.9777  1.0
  Pr  Pr4  2  0.4028  0.3921  0.4061  1.0
  Pr  Pr5  2  0.4703  0.8309  0.1774  1.0
  Pr  Pr6  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl7  2  0.0898  0.7677  0.4374  1.0
]