data_[Cs4Tl2I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [9.0432]
_cell_length_b [9.0432]
_cell_length_c [10.6549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2TlI5]
_chemical_formula_sum '[Cs4 Tl2 I10]'
_cell_volume [871.3462]
_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  0.5000  0.2345  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0369  1.0
  I  I2  8  0.2283  0.2283  0.9776  1.0
  I  I3  2  0.0000  0.0000  0.3067  1.0
]