data_[Cs4Rb2Tl2Br12]
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 [P2_1/c]
_cell_length_a [8.3342]
_cell_length_b [8.7412]
_cell_length_c [14.5815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2RbTlBr6]
_chemical_formula_sum '[Cs4 Rb2 Tl2 Br12]'
_cell_volume [873.9488]
_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  0.2261  0.0686  0.2485  1.0
  Rb  Rb1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1238  0.2288  0.9511  1.0
  Br  Br4  4  0.2312  0.6765  0.9562  1.0
  Br  Br5  4  0.3152  0.0233  0.7247  1.0
]