data_[Cs12Pr9Tl3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4140]
_cell_length_b [7.4140]
_cell_length_c [20.8582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4Pr3TlO8]
_chemical_formula_sum '[Cs12 Pr9 Tl3 O24]'
_cell_volume [992.9081]
_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
[
  Cs  Cs0  9  0.0000  0.5000  0.5000  1
  Cs  Cs1  3  -0.0000  -0.0000  0.5000  1
  Pr  Pr2  9  0.0000  0.5000  0.0000  1
  Tl  Tl3  3  -0.0000  -0.0000  0.0000  1
  O  O4  18  0.0001  0.5001  0.7253  1
  O  O5  6  0.0000  0.0000  0.2772  1
]