data_[Cs8Tl6Sn2Br16]
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 [C2/m]
_cell_length_a [17.0755]
_cell_length_b [9.7638]
_cell_length_c [9.8571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs4Tl3SnBr8]
_chemical_formula_sum '[Cs8 Tl6 Sn2 Br16]'
_cell_volume [1411.7258]
_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  0.2500  0.2500  0.5000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  4  0.2500  0.2500  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.5000  1
  Br  Br6  8  0.0109  0.2334  0.7284  1
  Br  Br7  4  0.2336  0.5000  0.2146  1
  Br  Br8  4  0.2429  0.5000  0.7576  1
]