data_[Cs6Tl2In4I12]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1654]
_cell_length_b [15.8669]
_cell_length_c [9.1523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tl(InI3)2]
_chemical_formula_sum '[Cs6 Tl2 In4 I12]'
_cell_volume [1254.8738]
_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  0.1666  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0000  0.3334  0.0000  1.0
  I  I4  8  0.2416  0.1675  0.2225  1.0
  I  I5  4  0.2396  0.5000  0.2230  1.0
]