data_[Rb3Al9Tl6F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1868]
_cell_length_b [7.1868]
_cell_length_c [18.8172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [RbAl3Tl2F12]
_chemical_formula_sum '[Rb3 Al9 Tl6 F36]'
_cell_volume [841.6897]
_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
  Al  Al1  9  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  6  0.0000  0.0000  0.3635  1.0
  F  F3  18  0.0466  0.5233  0.4066  1.0
  F  F4  18  0.0874  0.5437  0.8207  1.0
]