data_[Cs4Ba2Tl2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3840]
_cell_length_b [8.7333]
_cell_length_c [14.5782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2BaTlBr6]
_chemical_formula_sum '[Cs4 Ba2 Tl2 Br12]'
_cell_volume [881.2290]
_cell_formula_units_Z [2]
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  0.2264  0.0664  0.2481  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1436  0.2103  0.9507  1.0
  Br  Br4  4  0.2436  0.6971  0.9522  1.0
  Br  Br5  4  0.3349  0.0247  0.7413  1.0
]