data_[Cs6Tl18Sn4]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4613]
_cell_length_b [12.9107]
_cell_length_c [15.1166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs3Tl9Sn2]
_chemical_formula_sum '[Cs6 Tl18 Sn4]'
_cell_volume [1065.8675]
_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  0.0000  0.0000  0.2999  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.0000  0.2804  0.1269  1.0
  Tl  Tl3  8  0.0000  0.3535  0.3359  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.0000  0.1936  0.5000  1.0
]