data_[La12Pr20Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.5137]
_cell_length_b [15.5788]
_cell_length_c [6.8371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La3Pr5Tl2]
_chemical_formula_sum '[La12 Pr20 Tl8]'
_cell_volume [1439.3930]
_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
[
  La  La0  8  0.1288  0.2366  0.0000  1
  La  La1  4  0.0000  0.0000  0.2500  1
  Pr  Pr2  8  0.1023  0.3373  0.5000  1
  Pr  Pr3  8  0.2470  0.5000  0.2500  1
  Pr  Pr4  4  0.0000  0.5000  0.2500  1
  Tl  Tl5  8  0.1323  0.1447  0.5000  1
]