data_[Cs2Tl2Ag2Br12]
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]
_cell_length_a [7.7982]
_cell_length_b [11.9821]
_cell_length_c [8.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsTlAgBr6]
_chemical_formula_sum '[Cs2 Tl2 Ag2 Br12]'
_cell_volume [747.4460]
_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  2  0.0000  0.9782  0.5000  1.0
  Tl  Tl1  2  0.0000  0.3212  0.0000  1.0
  Ag  Ag2  2  0.0000  0.6688  0.0000  1.0
  Br  Br3  4  0.1089  0.5075  0.2074  1.0
  Br  Br4  4  0.1792  0.1922  0.2303  1.0
  Br  Br5  4  0.1921  0.8185  0.1754  1.0
]