data_[Rb3Tl12In9I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.1343]
_cell_length_b [10.1343]
_cell_length_c [24.7555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [RbTl4In3I8]
_chemical_formula_sum '[Rb3 Tl12 In9 I24]'
_cell_volume [2201.8442]
_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  0.0000  1.0
  Tl  Tl1  9  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  3  -0.0000  -0.0000  0.5000  1.0
  In  In3  9  0.0000  0.5000  0.0000  1.0
  I  I4  18  0.0061  0.5031  0.2496  1.0
  I  I5  6  0.0000  0.0000  0.2510  1.0
]