data_[Rb8Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C222_1]
_cell_length_a [7.5553]
_cell_length_b [12.7785]
_cell_length_c [13.0226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [RbCuBr3]
_chemical_formula_sum '[Rb8 Cu8 Br24]'
_cell_volume [1257.2743]
_cell_formula_units_Z [8]
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  0.3189  0.2500  1.0
  Rb  Rb1  4  0.0112  0.0000  0.5000  1.0
  Cu  Cu2  8  0.0120  0.3472  0.6203  1.0
  Br  Br3  8  0.2130  0.2687  0.9817  1.0
  Br  Br4  8  0.2497  0.4307  0.7115  1.0
  Br  Br5  4  0.0000  0.2003  0.7500  1.0
  Br  Br6  4  0.0031  0.5000  0.5000  1.0
]