data_[Cs4Rb6Tl2I12]
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 [C2/m]
_cell_length_a [23.3246]
_cell_length_b [5.3444]
_cell_length_c [10.7309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Rb3TlI6]
_chemical_formula_sum '[Cs4 Rb6 Tl2 I12]'
_cell_volume [1301.3033]
_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  0.1649  0.0000  0.3298  1.0
  Rb  Rb1  4  0.1674  0.0000  0.8356  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  I  I4  4  0.0038  0.0000  0.7628  1.0
  I  I5  4  0.1623  0.5000  0.0712  1.0
  I  I6  4  0.1636  0.5000  0.5912  1.0
]