data_[K4Fe8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [14.2461]
_cell_length_b [14.3894]
_cell_length_c [6.8641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(FeBr3)2]
_chemical_formula_sum '[K4 Fe8 Br24]'
_cell_volume [1388.8279]
_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
[
  K  K0  4  0.0000  0.1267  0.2500  1.0
  Fe  Fe1  8  0.2041  0.4256  0.2629  1.0
  Br  Br2  8  0.1271  0.0786  0.6937  1.0
  Br  Br3  8  0.1289  0.2987  0.0949  1.0
  Br  Br4  8  0.1499  0.4304  0.5902  1.0
]