data_[La24Tl8I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5277]
_cell_length_b [13.4954]
_cell_length_c [7.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3TlI]
_chemical_formula_sum '[La24 Tl8 I8]'
_cell_volume [1370.0769]
_cell_formula_units_Z [8]
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  0.0820  0.3177  0.0291  1
  La  La1  8  0.1734  0.2092  0.6366  1
  La  La2  8  0.1913  0.0527  0.1288  1
  Tl  Tl3  4  0.0000  0.1070  0.7500  1
  Tl  Tl4  4  0.0000  0.1273  0.2500  1
  I  I5  8  0.1253  0.4359  0.4442  1
]