data_[K4Nb4O12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9336]
_cell_length_b [3.8553]
_cell_length_c [7.6888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNbO3]
_chemical_formula_sum '[K4 Nb4 O12]'
_cell_volume [319.6312]
_cell_formula_units_Z [4]
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  4  0.1205  0.5000  0.3937  1.0
  Nb  Nb1  4  0.1229  0.0000  0.8954  1.0
  O  O2  4  0.0514  0.0000  0.1622  1.0
  O  O3  4  0.1502  0.0000  0.6664  1.0
  O  O4  4  0.1718  0.5000  0.9548  1.0
]