data_[Cs3Tl9Cd12Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [16.4075]
_cell_length_b [16.4075]
_cell_length_c [12.5789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsTl3(CdBr3)4]
_chemical_formula_sum '[Cs3 Tl9 Cd12 Br36]'
_cell_volume [2932.6394]
_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  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  9  0.0000  0.5444  0.0000  1.0
  Cd  Cd2  9  0.0000  0.4507  0.5000  1.0
  Cd  Cd3  3  0.0000  0.0000  0.5000  1.0
  Br  Br4  18  0.0354  0.2101  0.1611  1.0
  Br  Br5  9  0.0000  0.6066  0.5000  1.0
  Br  Br6  9  0.0000  0.8447  0.5000  1.0
]