data_[Cs36Rb3Tl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [17.5473]
_cell_length_b [17.5473]
_cell_length_c [15.7017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs12RbTl6]
_chemical_formula_sum '[Cs36 Rb3 Tl18]'
_cell_volume [4186.9354]
_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  18  0.0171  0.6012  0.6725  1
  Cs  Cs1  18  0.0658  0.1883  0.2589  1
  Rb  Rb2  3  0.0000  0.0000  0.0000  1
  Tl  Tl3  18  0.0520  0.8625  0.5225  1
]