data_[Rb2Ba2Cu2Br8]
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 [P2_1/m]
_cell_length_a [7.2384]
_cell_length_b [7.4432]
_cell_length_c [9.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbBaCuBr4]
_chemical_formula_sum '[Rb2 Ba2 Cu2 Br8]'
_cell_volume [490.5400]
_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  2  0.2580  0.2500  0.0626  1
  Ba  Ba1  2  0.2360  0.2500  0.5561  1
  Cu  Cu2  2  0.2210  0.7500  0.3128  1
  Br  Br3  4  0.0115  0.5052  0.7339  1
  Br  Br4  2  0.4046  0.7500  0.1391  1
  Br  Br5  2  0.4075  0.7500  0.5787  1
]