data_[La2Pr16Tl4]
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 [17.7818]
_cell_length_b [6.8868]
_cell_length_c [6.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(Pr4Tl)2]
_chemical_formula_sum '[La2 Pr16 Tl4]'
_cell_volume [751.4195]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Pr  Pr1  8  0.1747  0.2616  0.1160  1
  Pr  Pr2  4  0.0029  0.5000  0.7417  1
  Pr  Pr3  4  0.1320  0.0000  0.5791  1
  Tl  Tl4  4  0.1769  0.5000  0.6051  1
]