data_[Cs6Tl2Cl8]
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 [P2/c]
_cell_length_a [8.4863]
_cell_length_b [9.8227]
_cell_length_c [8.4935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Cs3TlCl4]
_chemical_formula_sum '[Cs6 Tl2 Cl8]'
_cell_volume [667.1731]
_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  0.3731  0.2500  1
  Cs  Cs1  2  0.5000  0.1233  0.2500  1
  Cs  Cs2  2  0.5000  0.3704  0.7500  1
  Tl  Tl3  2  0.0000  0.1191  0.7500  1
  Cl  Cl4  4  0.2322  0.1145  0.5005  1
  Cl  Cl5  4  0.2472  0.3679  0.9929  1
]