data_[K2Na1I1Br6]
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 [P-1]
_cell_length_a [6.4702]
_cell_length_b [8.0914]
_cell_length_c [8.9175]
_cell_angle_alpha [112.0177]
_cell_angle_beta [111.1363]
_cell_angle_gamma [90.4690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2NaIBr6]
_chemical_formula_sum '[K2 Na1 I1 Br6]'
_cell_volume [398.0995]
_cell_formula_units_Z [1]
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  2  0.2057  0.2150  0.9997  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  I  I2  1  0.0000  0.5000  0.5000  1.0
  Br  Br3  2  0.1299  0.1818  0.3480  1.0
  Br  Br4  2  0.1568  0.6365  0.3119  1.0
  Br  Br5  2  0.3695  0.8522  0.1193  1.0
]