data_[Cs6Na2Tl4I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0161]
_cell_length_b [15.5982]
_cell_length_c [9.0547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Na(TlI3)2]
_chemical_formula_sum '[Cs6 Na2 Tl4 I12]'
_cell_volume [1201.2043]
_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  0.0000  0.1716  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Na  Na2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.3349  0.0000  1
  I  I4  8  0.2307  0.1592  0.2151  1
  I  I5  4  0.2448  0.0000  0.7807  1
]