data_[Rb12Li3I15]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0489]
_cell_length_b [5.0489]
_cell_length_c [63.8286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4LiI5]
_chemical_formula_sum '[Rb12 Li3 I15]'
_cell_volume [1409.1001]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1066  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2978  1.0
  Li  Li2  3  -0.0000  -0.0000  0.5000  1.0
  I  I3  6  0.0000  0.0000  0.1907  1.0
  I  I4  6  0.0000  0.0000  0.4045  1.0
  I  I5  3  0.0000  0.0000  0.0000  1.0
]