data_[Cs4Tl6Cl16]
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 [16.1294]
_cell_length_b [9.7010]
_cell_length_c [6.9861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl3Cl8]
_chemical_formula_sum '[Cs4 Tl6 Cl16]'
_cell_volume [1023.9852]
_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  0.2170  0.5000  0.6396  1.0
  Tl  Tl1  4  0.0000  0.2682  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.1065  0.1920  0.4452  1.0
  Cl  Cl4  4  0.0932  0.0000  0.8925  1.0
  Cl  Cl5  4  0.1182  0.5000  0.0231  1.0
]