data_[K8Na4I4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7906]
_cell_length_b [12.8268]
_cell_length_c [9.8532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2NaIBr4]
_chemical_formula_sum '[K8 Na4 I4 Br16]'
_cell_volume [1238.3051]
_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  0.5000  0.0000  1
  K  K1  4  0.2500  0.2500  0.0000  1
  Na  Na2  4  0.2500  0.2500  0.5000  1
  I  I3  4  0.0000  0.0000  0.0000  1
  Br  Br4  8  0.0407  0.2496  0.5480  1
  Br  Br5  8  0.2183  0.4806  0.4334  1
]