data_[K8Nb16]
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
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.0484]
_cell_length_b [8.6819]
_cell_length_c [13.8847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [KNb2]
_chemical_formula_sum '[K8 Nb16]'
_cell_volume [729.1035]
_cell_formula_units_Z [8]
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  8  0.0000  0.1935  0.0000  1
  Nb  Nb1  8  0.0000  0.0000  0.2601  1
  Nb  Nb2  8  0.2500  0.2500  0.2500  1
]