data_[La12Pr4Tl8]
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 [C2/m]
_cell_length_a [19.2947]
_cell_length_b [5.0185]
_cell_length_c [8.8345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PrTl2]
_chemical_formula_sum '[La12 Pr4 Tl8]'
_cell_volume [782.6363]
_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  4  0.0642  0.0000  0.6797  1.0
  La  La1  4  0.1211  0.5000  0.5175  1.0
  La  La2  4  0.1983  0.5000  0.9666  1.0
  Pr  Pr3  4  0.1145  0.0000  0.1765  1.0
  Tl  Tl4  4  0.0145  0.5000  0.8477  1.0
  Tl  Tl5  4  0.2431  0.0000  0.6351  1.0
]