data_[Rb1Ti1Tl2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7699]
_cell_length_b [8.0867]
_cell_length_c [10.1316]
_cell_angle_alpha [88.2146]
_cell_angle_beta [70.8552]
_cell_angle_gamma [85.1939]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbTi(TlI4)2]
_chemical_formula_sum '[Rb1 Ti1 Tl2 I8]'
_cell_volume [522.1445]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.1036  0.4539  0.1848  1.0
  I  I3  2  0.1101  0.0210  0.2418  1.0
  I  I4  2  0.2589  0.4992  0.4896  1.0
  I  I5  2  0.2863  0.2249  0.8644  1.0
  I  I6  2  0.3072  0.7421  0.8984  1.0
]