data_[K4Se8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.1701]
_cell_length_b [9.5936]
_cell_length_c [9.2661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(SeBr3)2]
_chemical_formula_sum '[K4 Se8 Br24]'
_cell_volume [1478.0552]
_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  0.0869  0.2500  1.0
  Se  Se1  8  0.2489  0.3478  0.2715  1.0
  Br  Br2  8  0.0935  0.1674  0.6335  1.0
  Br  Br3  8  0.1016  0.3225  0.1163  1.0
  Br  Br4  8  0.2486  0.4579  0.5018  1.0
]