data_[K2Nb1O1F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0357]
_cell_length_b [6.0388]
_cell_length_c [6.3467]
_cell_angle_alpha [117.8041]
_cell_angle_beta [116.5730]
_cell_angle_gamma [91.3822]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2NbOF5]
_chemical_formula_sum '[K2 Nb1 O1 F5]'
_cell_volume [174.8994]
_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  0.2655  0.7723  0.5349  1.0
  K  K1  1  0.7241  0.2348  0.4739  1.0
  Nb  Nb2  1  0.9815  0.9882  0.9873  1.0
  O  O3  1  0.7698  0.8724  0.6274  1.0
  F  F4  1  0.1053  0.6742  0.9247  1.0
  F  F5  1  0.2444  0.1353  0.4164  1.0
  F  F6  1  0.2904  0.1625  0.0217  1.0
  F  F7  1  0.7197  0.8362  0.0291  1.0
  F  F8  1  0.8993  0.3241  0.1443  1.0
]