data_[Cs4Rb2Tl2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.7210]
_cell_length_b [13.0036]
_cell_length_c [10.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2RbTlI6]
_chemical_formula_sum '[Cs4 Rb2 Tl2 I12]'
_cell_volume [1161.6263]
_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  0.2909  0.1747  1.0
  Rb  Rb1  2  0.0000  0.5000  0.6925  1.0
  Tl  Tl2  2  0.0000  0.0000  0.7980  1.0
  I  I3  4  0.0000  0.2334  0.8011  1.0
  I  I4  4  0.2396  0.0000  0.0181  1.0
  I  I5  4  0.2407  0.5000  0.3963  1.0
]