data_[K6Hf3Nb9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6041]
_cell_length_b [7.6041]
_cell_length_c [18.5339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2HfNb3O12]
_chemical_formula_sum '[K6 Hf3 Nb9 O36]'
_cell_volume [928.1009]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3430  1
  Hf  Hf1  3  0.0000  0.0000  0.0000  1
  Nb  Nb2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0714  0.5357  0.6045  1
  O  O4  18  0.0872  0.5436  0.8528  1
]