data_[Cs2Rb6Tl4I12]
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 [22.8901]
_cell_length_b [5.2515]
_cell_length_c [10.5233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRb3(TlI3)2]
_chemical_formula_sum '[Cs2 Rb6 Tl4 I12]'
_cell_volume [1230.4743]
_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  2  0.0000  0.5000  0.0000  1.0
  Rb  Rb1  4  0.1657  0.0000  0.8286  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.1696  0.0000  0.3354  1.0
  I  I4  4  0.0037  0.0000  0.2625  1.0
  I  I5  4  0.1701  0.5000  0.5737  1.0
  I  I6  4  0.1708  0.5000  0.0924  1.0
]