data_[Rb3Ba6Tl3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [9.0459]
_cell_length_b [9.0459]
_cell_length_c [23.5664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbBa2TlI6]
_chemical_formula_sum '[Rb3 Ba6 Tl3 I18]'
_cell_volume [1670.0384]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.8067  1.0
  Ba  Ba1  3  0.0000  0.0000  0.0131  1.0
  Ba  Ba2  3  0.0000  0.0000  0.5166  1.0
  Tl  Tl3  3  0.0000  0.0000  0.3146  1.0
  I  I4  9  0.0425  0.3571  0.5861  1.0
  I  I5  9  0.0599  0.6982  0.0843  1.0
]