data_[Rb2Ti4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9185]
_cell_length_b [11.4177]
_cell_length_c [7.7581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb(TiI4)2]
_chemical_formula_sum '[Rb2 Ti4 I16]'
_cell_volume [1370.4356]
_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
  Ti  Ti1  4  0.2059  0.0000  0.6727  1.0
  I  I2  8  0.1239  0.1857  0.7402  1.0
  I  I3  4  0.1393  0.5000  0.1295  1.0
  I  I4  4  0.2132  0.0000  0.3412  1.0
]