data_[La1Pr12Tl3]
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 [P4/mmm]
_cell_length_a [5.0457]
_cell_length_b [5.0457]
_cell_length_c [20.7367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La(Pr4Tl)3]
_chemical_formula_sum '[La1 Pr12 Tl3]'
_cell_volume [527.9408]
_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
[
  La  La0  1  0.0000  0.0000  0.0000  1
  Pr  Pr1  4  0.0000  0.5000  0.1332  1
  Pr  Pr2  4  0.0000  0.5000  0.3782  1
  Pr  Pr3  2  0.5000  0.5000  0.2571  1
  Pr  Pr4  1  0.5000  0.5000  0.0000  1
  Pr  Pr5  1  0.5000  0.5000  0.5000  1
  Tl  Tl6  2  0.0000  0.0000  0.2572  1
  Tl  Tl7  1  0.0000  0.0000  0.5000  1
]