data_[Rb4Ba4Cu8Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9233]
_cell_length_b [15.3192]
_cell_length_c [10.0511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbBa(CuBr3)2]
_chemical_formula_sum '[Rb4 Ba4 Cu8 Br24]'
_cell_volume [1603.5674]
_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  0.1152  0.2500  1.0
  Ba  Ba1  4  0.0000  0.4439  0.7500  1.0
  Cu  Cu2  8  0.2453  0.3563  0.2747  1.0
  Br  Br3  8  0.0570  0.3803  0.0821  1.0
  Br  Br4  8  0.1939  0.0154  0.5982  1.0
  Br  Br5  8  0.1990  0.2895  0.7017  1.0
]