data_[Rb8Ba16I32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [11.2261]
_cell_length_b [14.7321]
_cell_length_c [17.2530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [RbBa2I4]
_chemical_formula_sum '[Rb8 Ba16 I32]'
_cell_volume [2853.3650]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.0000  1.0
  Ba  Ba1  16  0.1250  0.1250  0.6250  1.0
  I  I2  32  0.0717  0.1397  0.8277  1.0
]