data_[Cs4Rb4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  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 [12.4672]
_cell_length_b [14.4841]
_cell_length_c [10.1965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsRb(CuBr3)2]
_chemical_formula_sum '[Cs4 Rb4 Cu8 Br24]'
_cell_volume [1678.1510]
_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
[
  Cs  Cs0  4  0.0000  0.1321  0.7500  1.0
  Rb  Rb1  4  0.0000  0.4457  0.2500  1.0
  Cu  Cu2  8  0.2271  0.1388  0.1814  1.0
  Br  Br3  8  0.0920  0.3503  0.6174  1.0
  Br  Br4  8  0.1533  0.2846  0.1234  1.0
  Br  Br5  8  0.1899  0.0092  0.5938  1.0
]