data_[K3Nb3B2O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.9432]
_cell_length_b [8.9432]
_cell_length_c [3.9660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [K3Nb3(BO6)2]
_chemical_formula_sum '[K3 Nb3 B2 O12]'
_cell_volume [274.7068]
_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  3  0.0000  0.5959  0.5000  1.0
  Nb  Nb1  3  0.0000  0.2470  0.0000  1.0
  B  B2  2  0.3333  0.6667  0.0000  1.0
  O  O3  6  0.1896  0.5041  0.0000  1.0
  O  O4  3  0.0000  0.2644  0.5000  1.0
  O  O5  3  0.0000  0.8221  0.0000  1.0
]