data_[Cs8Rb4Tl4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.3090]
_cell_length_b [20.4279]
_cell_length_c [14.6573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2RbTlBr5]
_chemical_formula_sum '[Cs8 Rb4 Tl4 Br20]'
_cell_volume [1589.6176]
_cell_formula_units_Z [4]
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  4  0.0000  0.1116  0.6939  1.0
  Cs  Cs1  4  0.0000  0.1459  0.3182  1.0
  Rb  Rb2  4  0.0000  0.2102  0.0229  1.0
  Tl  Tl3  4  0.0000  0.4738  0.4495  1.0
  Br  Br4  4  0.0000  0.0364  0.0181  1.0
  Br  Br5  4  0.0000  0.2862  0.6736  1.0
  Br  Br6  4  0.0000  0.3349  0.3759  1.0
  Br  Br7  4  0.0000  0.3789  0.0045  1.0
  Br  Br8  4  0.0000  0.4847  0.7675  1.0
]