data_[Cs4Fe8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [14.3604]
_cell_length_b [15.9167]
_cell_length_c [6.6824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs(FeBr3)2]
_chemical_formula_sum '[Cs4 Fe8 Br24]'
_cell_volume [1517.0895]
_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  0.1352  0.2500  1.0
  Fe  Fe1  8  0.2033  0.4296  0.2044  1.0
  Br  Br2  8  0.1229  0.3171  0.0450  1.0
  Br  Br3  8  0.1309  0.0798  0.7668  1.0
  Br  Br4  8  0.1532  0.4364  0.5480  1.0
]