data_[Rb4Li8Ti4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.0169]
_cell_length_b [14.2401]
_cell_length_c [8.9695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbLi2TiI6]
_chemical_formula_sum '[Rb4 Li8 Ti4 I24]'
_cell_volume [1870.3642]
_cell_formula_units_Z [4]
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  4  0.0000  0.1638  0.2500  1.0
  Li  Li1  8  0.0708  0.4417  0.1458  1.0
  Ti  Ti2  4  0.0000  0.1786  0.7500  1.0
  I  I3  8  0.1147  0.0714  0.6793  1.0
  I  I4  8  0.1176  0.2720  0.0090  1.0
  I  I5  8  0.1182  0.4191  0.4763  1.0
]