data_[La13Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4438]
_cell_length_b [8.3634]
_cell_length_c [10.6570]
_cell_angle_alpha [71.3802]
_cell_angle_beta [74.6460]
_cell_angle_gamma [83.3829]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La13Tl2]
_chemical_formula_sum '[La13 Tl2]'
_cell_volume [524.5455]
_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  2  0.0552  0.4034  0.7271  1.0
  La  La1  2  0.1989  0.1834  0.2221  1.0
  La  La2  2  0.2628  0.5930  0.9444  1.0
  La  La3  2  0.3110  0.0086  0.6513  1.0
  La  La4  2  0.4414  0.3889  0.4043  1.0
  La  La5  2  0.4756  0.7957  0.1401  1.0
  La  La6  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl7  2  0.1380  0.7859  0.4633  1.0
]