data_[Rb12Ti6Tl6F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  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 [6.9172]
_cell_length_b [6.9172]
_cell_length_c [30.3810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2TiTlF6]
_chemical_formula_sum '[Rb12 Ti6 Tl6 F36]'
_cell_volume [1258.8964]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1275  1
  Rb  Rb1  6  0.0000  0.0000  0.2602  1
  Ti  Ti2  3  -0.0000  -0.0000  0.5000  1
  Ti  Ti3  3  0.0000  0.0000  0.0000  1
  Tl  Tl4  6  0.0000  0.0000  0.3932  1
  F  F5  18  0.0402  0.5201  0.1324  1
  F  F6  18  0.0774  0.5387  0.7068  1
]