data_[Cs4Tl2In6I12]
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 [22.5478]
_cell_length_b [5.1833]
_cell_length_c [10.3879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl(InI2)3]
_chemical_formula_sum '[Cs4 Tl2 In6 I12]'
_cell_volume [1184.6324]
_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  0.1653  0.0000  0.3239  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  In  In2  4  0.1650  0.0000  0.8310  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  I  I4  4  0.0083  0.0000  0.7538  1.0
  I  I5  4  0.1591  0.5000  0.5927  1.0
  I  I6  4  0.1623  0.5000  0.0546  1.0
]