data_[Cs8Tl12Cl40]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [25.2731]
_cell_length_b [7.9327]
_cell_length_c [10.7077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl3Cl10]
_chemical_formula_sum '[Cs8 Tl12 Cl40]'
_cell_volume [2010.0802]
_cell_formula_units_Z [4]
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  0.1240  0.5000  0.7389  1
  Cs  Cs1  4  0.2301  0.5000  0.3247  1
  Tl  Tl2  4  0.0000  0.2552  0.0000  1
  Tl  Tl3  4  0.0815  0.0000  0.4977  1
  Tl  Tl4  4  0.1852  0.0000  0.0498  1
  Cl  Cl5  8  0.1075  0.2605  0.0409  1
  Cl  Cl6  8  0.1368  0.2461  0.4607  1
  Cl  Cl7  4  0.0000  0.2184  0.5000  1
  Cl  Cl8  4  0.0141  0.5000  0.1829  1
  Cl  Cl9  4  0.0153  0.0000  0.1780  1
  Cl  Cl10  4  0.1317  0.0000  0.7541  1
  Cl  Cl11  4  0.2413  0.0000  0.3086  1
  Cl  Cl12  4  0.2500  0.2500  0.0000  1
]