data_[Rb24Ba4I32]
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 [Fm-3m]
_cell_length_a [14.9516]
_cell_length_b [14.9516]
_cell_length_c [14.9516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Rb6BaI8]
_chemical_formula_sum '[Rb24 Ba4 I32]'
_cell_volume [3342.4048]
_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  24  0.0000  0.2500  0.2500  1
  Ba  Ba1  4  0.0000  0.0000  0.0000  1
  I  I2  24  0.0000  0.0000  0.2323  1
  I  I3  8  0.2500  0.2500  0.2500  1
]