data_[K3Nd1Nb2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0264]
_cell_length_b [6.0264]
_cell_length_c [7.4926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3NdNb2O9]
_chemical_formula_sum '[K3 Nd1 Nb2 O9]'
_cell_volume [235.6588]
_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  2  0.3333  0.6667  0.6847  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Nd  Nd2  1  0.0000  0.0000  0.5000  1
  Nb  Nb3  2  0.3333  0.6667  0.1715  1
  O  O4  6  0.1772  0.3543  0.3073  1
  O  O5  3  0.0000  0.5000  0.0000  1
]