data_[Cs3La3Tl6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [R3]
_cell_length_a [8.8602]
_cell_length_b [8.8602]
_cell_length_c [23.6777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsLa(TlI3)2]
_chemical_formula_sum '[Cs3 La3 Tl6 I18]'
_cell_volume [1609.7453]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.0000  0.1905  1
  La  La1  3  0.0000  0.0000  0.6734  1
  Tl  Tl2  3  0.0000  0.0000  0.4796  1
  Tl  Tl3  3  0.0000  0.0000  0.9952  1
  I  I4  9  0.0156  0.3107  0.7455  1
  I  I5  9  0.0354  0.6235  0.2537  1
]