data_[K4Nb6F20]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8086]
_cell_length_b [8.7382]
_cell_length_c [9.3394]
_cell_angle_alpha [110.2521]
_cell_angle_beta [108.0361]
_cell_angle_gamma [90.4782]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2Nb3F10]
_chemical_formula_sum '[K4 Nb6 F20]'
_cell_volume [491.5074]
_cell_formula_units_Z [2]
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  0.2508  0.6095  0.5899  1
  K  K1  1  0.3772  0.2949  0.7895  1
  K  K2  1  0.6287  0.7107  0.2510  1
  K  K3  1  0.6488  0.3385  0.4216  1
  Nb  Nb4  1  0.0798  0.0203  0.2744  1
  Nb  Nb5  1  0.0894  0.5109  0.1529  1
  Nb  Nb6  1  0.1529  0.0111  0.9884  1
  Nb  Nb7  1  0.7527  0.9851  0.9874  1
  Nb  Nb8  1  0.7695  0.9988  0.7198  1
  Nb  Nb9  1  0.9276  0.5261  0.8752  1
  F  F10  1  0.0475  0.4400  0.6920  1
  F  F11  1  0.0882  0.0217  0.7590  1
  F  F12  1  0.1255  0.7543  0.8886  1
  F  F13  1  0.1331  0.7803  0.2649  1
  F  F14  1  0.1780  0.2750  0.0806  1
  F  F15  1  0.2389  0.2398  0.4228  1
  F  F16  1  0.2682  0.5433  0.0133  1
  F  F17  1  0.3545  0.0004  0.2057  1
  F  F18  1  0.3846  0.5491  0.3228  1
  F  F19  1  0.4750  0.0973  0.9842  1
  F  F20  1  0.4892  0.0410  0.6028  1
  F  F21  1  0.5593  0.8339  0.7512  1
  F  F22  1  0.6221  0.4839  0.7172  1
  F  F23  1  0.7646  0.4637  0.0149  1
  F  F24  1  0.7943  0.7444  0.9863  1
  F  F25  1  0.7983  0.7791  0.5742  1
  F  F26  1  0.8406  0.2473  0.7667  1
  F  F27  1  0.8515  0.1821  0.2148  1
  F  F28  1  0.8666  0.9872  0.3721  1
  F  F29  1  0.9424  0.5304  0.3159  1
]