data_[Cs2Tl2Cl6]
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 [P1]
_cell_length_a [4.9545]
_cell_length_b [9.1906]
_cell_length_c [9.3453]
_cell_angle_alpha [112.4647]
_cell_angle_beta [91.7440]
_cell_angle_gamma [91.1412]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsTlCl3]
_chemical_formula_sum '[Cs2 Tl2 Cl6]'
_cell_volume [392.8291]
_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  1  0.5390  0.2002  0.3125  1.0
  Cs  Cs1  1  0.9913  0.6166  0.8560  1.0
  Tl  Tl2  1  0.5190  0.0751  0.8071  1.0
  Tl  Tl3  1  0.7960  0.7246  0.3581  1.0
  Cl  Cl4  1  0.0279  0.9833  0.4980  1.0
  Cl  Cl5  1  0.0421  0.0499  0.0083  1.0
  Cl  Cl6  1  0.4698  0.3454  0.7110  1.0
  Cl  Cl7  1  0.5067  0.7786  0.1603  1.0
  Cl  Cl8  1  0.5371  0.6673  0.5578  1.0
  Cl  Cl9  1  0.9946  0.4700  0.2091  1.0
]