data_[Cs1Na1Tl2I4]
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 [P2/m]
_cell_length_a [8.8063]
_cell_length_b [5.1006]
_cell_length_c [8.8772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsNa(TlI2)2]
_chemical_formula_sum '[Cs1 Na1 Tl2 I4]'
_cell_volume [376.3165]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  1  0.0000  0.5000  0.5000  1.0
  I  I4  2  0.2468  0.0000  0.7206  1.0
  I  I5  2  0.2534  0.5000  0.2689  1.0
]