data_[Rb4Li4Al4I20]
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
  Al  1.6100  1.2500  0.6750
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8803]
_cell_length_b [13.8276]
_cell_length_c [10.1370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbLiAlI5]
_chemical_formula_sum '[Rb4 Li4 Al4 I20]'
_cell_volume [1426.8199]
_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  0.3310  0.7500  1
  Li  Li1  4  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0000  0.3301  0.2500  1
  I  I3  8  0.1184  0.2226  0.1247  1
  I  I4  8  0.1664  0.4350  0.4395  1
  I  I5  4  0.0000  0.0659  0.7500  1
]