data_[Rb2Tl6In4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [8.7880]
_cell_length_b [15.2081]
_cell_length_c [8.7678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTl3(InI3)2]
_chemical_formula_sum '[Rb2 Tl6 In4 I12]'
_cell_volume [1104.6148]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1635  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.0000  0.3322  0.0000  1.0
  I  I4  8  0.2441  0.3285  0.7471  1.0
  I  I5  4  0.2394  0.5000  0.2483  1.0
]