data_[Rb4Ba2I8]
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 [C2/m]
_cell_length_a [17.3308]
_cell_length_b [5.1881]
_cell_length_c [9.6401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2BaI4]
_chemical_formula_sum '[Rb4 Ba2 I8]'
_cell_volume [777.0105]
_cell_formula_units_Z [2]
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  0.1979  0.5000  0.6839  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1065  0.0000  0.3951  1.0
  I  I3  4  0.1419  0.5000  0.0180  1.0
]