data_[Cs4Tl2Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8655]
_cell_length_b [7.9818]
_cell_length_c [7.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2TlAgBr6]
_chemical_formula_sum '[Cs4 Tl2 Ag2 Br12]'
_cell_volume [723.2777]
_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  0.2499  0.5000  0.7494  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.0064  0.2490  0.2574  1.0
  Br  Br4  4  0.2497  0.5000  0.2374  1.0
]