data_[Cs6K4Tl2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  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 [23.1249]
_cell_length_b [5.2854]
_cell_length_c [10.6124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3K2TlI6]
_chemical_formula_sum '[Cs6 K4 Tl2 I12]'
_cell_volume [1260.8172]
_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  0.1660  0.0000  0.8324  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  K  K2  4  0.1667  0.0000  0.3315  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  I  I4  4  0.0057  0.0000  0.2356  1
  I  I5  4  0.1611  0.5000  0.0951  1
  I  I6  4  0.1718  0.5000  0.5688  1
]