data_[Rb4Cd4Fe4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5808]
_cell_length_b [12.6367]
_cell_length_c [10.0128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCdFeBr5]
_chemical_formula_sum '[Rb4 Cd4 Fe4 Br20]'
_cell_volume [1119.8958]
_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  0.3501  0.2500  1.0
  Cd  Cd1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.3128  0.7500  1.0
  Br  Br3  8  0.1124  0.2036  0.6155  1.0
  Br  Br4  8  0.1824  0.4232  0.9348  1.0
  Br  Br5  4  0.0000  0.0795  0.2500  1.0
]