data_[K1Na2Nb1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4354]
_cell_length_b [6.7133]
_cell_length_c [9.1422]
_cell_angle_alpha [83.1777]
_cell_angle_beta [83.8572]
_cell_angle_gamma [85.5944]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNa2NbCl8]
_chemical_formula_sum '[K1 Na2 Nb1 Cl8]'
_cell_volume [389.0980]
_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  0.4305  0.4492  0.6986  1.0
  Nb  Nb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2009  0.8260  0.1859  1.0
  Cl  Cl4  2  0.2194  0.2748  0.9773  1.0
  Cl  Cl5  2  0.2257  0.8490  0.8136  1.0
  Cl  Cl6  2  0.3037  0.3189  0.4660  1.0
]