data_[Rb10Tl2I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [11.2866]
_cell_length_b [11.2866]
_cell_length_c [10.5609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Rb5TlI8]
_chemical_formula_sum '[Rb10 Tl2 I16]'
_cell_volume [1345.3229]
_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  8  0.1286  0.2461  0.8723  1
  Rb  Rb1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.2500  1
  I  I3  8  0.0661  0.3318  0.5322  1
  I  I4  8  0.0737  0.1796  0.2153  1
]