data_[Rb9Ba3Tl24]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.7787]
_cell_length_b [6.7787]
_cell_length_c [33.1449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb3BaTl8]
_chemical_formula_sum '[Rb9 Ba3 Tl24]'
_cell_volume [1318.9991]
_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  0.0021  1
  Rb  Rb1  3  0.0000  0.0000  0.3738  1
  Rb  Rb2  3  0.0000  0.0000  0.4974  1
  Ba  Ba3  3  0.0000  0.0000  0.8766  1
  Tl  Tl4  9  0.0012  0.5006  0.4391  1
  Tl  Tl5  9  0.1674  0.3347  0.2691  1
  Tl  Tl6  3  0.0000  0.0000  0.1867  1
  Tl  Tl7  3  0.0000  0.0000  0.6888  1
]