data_[Cs1Rb2Tl1Br4]
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/m]
_cell_length_a [8.6225]
_cell_length_b [4.9803]
_cell_length_c [8.6243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsRb2TlBr4]
_chemical_formula_sum '[Cs1 Rb2 Tl1 Br4]'
_cell_volume [349.3519]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  Rb  Rb2  1  0.5000  0.5000  0.0000  1.0
  Tl  Tl3  1  0.0000  0.5000  0.5000  1.0
  Br  Br4  2  0.2371  0.5000  0.2435  1.0
  Br  Br5  2  0.2399  0.0000  0.7492  1.0
]