data_[Cs2Tl2Au2Br12]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2016]
_cell_length_b [11.6866]
_cell_length_c [7.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsTlAuBr6]
_chemical_formula_sum '[Cs2 Tl2 Au2 Br12]'
_cell_volume [746.0326]
_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  0.0528  0.5000  1.0
  Tl  Tl1  2  0.0000  0.6826  0.0000  1.0
  Au  Au2  2  0.0000  0.3263  0.0000  1.0
  Br  Br3  4  0.1109  0.4864  0.2142  1.0
  Br  Br4  4  0.1650  0.8096  0.2532  1.0
  Br  Br5  4  0.1986  0.1729  0.1579  1.0
]