data_[Rb12Li4I16]
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 [Pnma]
_cell_length_a [10.3736]
_cell_length_b [12.7788]
_cell_length_c [11.0592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb3LiI4]
_chemical_formula_sum '[Rb12 Li4 I16]'
_cell_volume [1466.0379]
_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  8  0.0413  0.0460  0.2914  1
  Rb  Rb1  4  0.1046  0.7500  0.0759  1
  Li  Li2  4  0.2039  0.7500  0.5120  1
  I  I3  8  0.1819  0.0599  0.9635  1
  I  I4  4  0.0322  0.2500  0.6053  1
  I  I5  4  0.1954  0.7500  0.7629  1
]