data_[Cs6Na4Tl2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  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 [20.0765]
_cell_length_b [4.6112]
_cell_length_c [9.3041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Na2TlCl6]
_chemical_formula_sum '[Cs6 Na4 Tl2 Cl12]'
_cell_volume [835.1927]
_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  0.1623  0.0000  0.8339  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Na  Na2  4  0.1731  0.0000  0.3436  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  4  0.0195  0.0000  0.2481  1.0
  Cl  Cl5  4  0.1659  0.5000  0.1180  1.0
  Cl  Cl6  4  0.1784  0.5000  0.5613  1.0
]