data_[Rb4Ba4Cu8I24]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5888]
_cell_length_b [16.1308]
_cell_length_c [10.7326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbBa(CuI3)2]
_chemical_formula_sum '[Rb4 Ba4 Cu8 I24]'
_cell_volume [1928.6116]
_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  0.1209  0.2500  1.0
  Ba  Ba1  4  0.0000  0.4525  0.7500  1.0
  Cu  Cu2  8  0.2452  0.3578  0.2717  1.0
  I  I3  8  0.0591  0.3721  0.0781  1.0
  I  I4  8  0.1925  0.2900  0.6959  1.0
  I  I5  8  0.1935  0.0144  0.5956  1.0
]