data_[K1Na2Nb1Br8]
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
  Nb  1.6000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6726]
_cell_length_b [7.8342]
_cell_length_c [9.7277]
_cell_angle_alpha [111.7757]
_cell_angle_beta [92.3550]
_cell_angle_gamma [99.8697]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNa2NbBr8]
_chemical_formula_sum '[K1 Na2 Nb1 Br8]'
_cell_volume [462.1807]
_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  1  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.4778  0.3273  0.3058  1.0
  Nb  Nb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0989  0.7806  0.7503  1.0
  Br  Br4  2  0.2543  0.9052  0.1455  1.0
  Br  Br5  2  0.2705  0.2701  0.0001  1.0
  Br  Br6  2  0.4379  0.2798  0.5763  1.0
]