data_[Cs4Tl8Sn4Br20]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5786]
_cell_length_b [19.5054]
_cell_length_c [17.6471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CsTl2SnBr5]
_chemical_formula_sum '[Cs4 Tl8 Sn4 Br20]'
_cell_volume [1576.0315]
_cell_formula_units_Z [4]
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  0.0000  0.4247  0.4207  1.0
  Tl  Tl1  4  0.0000  0.0353  0.6501  1.0
  Tl  Tl2  4  0.0000  0.1593  0.2520  1.0
  Sn  Sn3  4  0.0000  0.2727  0.0453  1.0
  Br  Br4  4  0.0000  0.1154  0.0677  1.0
  Br  Br5  4  0.0000  0.2181  0.6649  1.0
  Br  Br6  4  0.0000  0.2392  0.4314  1.0
  Br  Br7  4  0.0000  0.4200  0.0262  1.0
  Br  Br8  4  0.0000  0.4584  0.7657  1.0
]