data_[Cs2Tl16Sn4]
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 [C2/m]
_cell_length_a [9.4824]
_cell_length_b [13.8142]
_cell_length_c [6.3368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(Tl4Sn)2]
_chemical_formula_sum '[Cs2 Tl16 Sn4]'
_cell_volume [792.8601]
_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  0.0000  0.5000  1
  Tl  Tl1  8  0.2056  0.1245  0.1137  1
  Tl  Tl2  4  0.0000  0.2740  0.5000  1
  Tl  Tl3  4  0.0859  0.5000  0.3105  1
  Sn  Sn4  4  0.0000  0.3161  0.0000  1
]