data_[Cs1Tl2Sn1Br8]
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 [P-1]
_cell_length_a [6.2020]
_cell_length_b [7.5514]
_cell_length_c [9.8961]
_cell_angle_alpha [89.6274]
_cell_angle_beta [72.8090]
_cell_angle_gamma [88.9429]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTl2SnBr8]
_chemical_formula_sum '[Cs1 Tl2 Sn1 Br8]'
_cell_volume [442.6873]
_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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.3163  0.4858  0.8126  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1689  0.2465  0.1270  1.0
  Br  Br4  2  0.1827  0.7448  0.1191  1.0
  Br  Br5  2  0.2460  0.4997  0.4968  1.0
  Br  Br6  2  0.3520  0.0073  0.7672  1.0
]