data_[Cs6Tl26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7900]
_cell_length_b [11.1526]
_cell_length_c [12.8523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cs3Tl13]
_chemical_formula_sum '[Cs6 Tl26]'
_cell_volume [1259.9277]
_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  0.2698  0.0000  0.9804  1.0
  Cs  Cs1  2  0.0000  0.0000  0.2920  1.0
  Tl  Tl2  8  0.3006  0.2413  0.7162  1.0
  Tl  Tl3  4  0.0000  0.2260  0.5582  1.0
  Tl  Tl4  4  0.2366  0.0000  0.5377  1.0
  Tl  Tl5  4  0.5000  0.1876  0.4767  1.0
  Tl  Tl6  2  0.0000  0.0000  0.7507  1.0
  Tl  Tl7  2  0.5000  0.0000  0.2671  1.0
  Tl  Tl8  2  0.5000  0.0000  0.7191  1.0
]