data_[Pr12Al3Tl3Zn6]
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
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3553]
_cell_length_b [5.3553]
_cell_length_c [26.3314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr4AlTlZn2]
_chemical_formula_sum '[Pr12 Al3 Tl3 Zn6]'
_cell_volume [653.9849]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1289  1.0
  Pr  Pr1  6  0.0000  0.0000  0.3788  1.0
  Al  Al2  3  -0.0000  -0.0000  0.5000  1.0
  Tl  Tl3  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn4  6  0.0000  0.0000  0.2496  1.0
]