data_[Rb8Ba4Na4I20]
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
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.1405]
_cell_length_b [21.3514]
_cell_length_c [16.1405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2BaNaI5]
_chemical_formula_sum '[Rb8 Ba4 Na4 I20]'
_cell_volume [1771.5410]
_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  0.0967  0.6741  1.0
  Rb  Rb1  4  0.0000  0.1274  0.3073  1.0
  Ba  Ba2  4  0.0000  0.2154  0.0205  1.0
  Na  Na3  4  0.0000  0.4700  0.4532  1.0
  I  I4  4  0.0000  0.0564  0.0522  1.0
  I  I5  4  0.0000  0.2753  0.6683  1.0
  I  I6  4  0.0000  0.3070  0.3798  1.0
  I  I7  4  0.0000  0.3754  0.9976  1.0
  I  I8  4  0.0000  0.4967  0.7710  1.0
]