data_[K6Ca3Hf9O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.5532]
_cell_length_b [6.5532]
_cell_length_c [19.5599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K2CaHf3O8]
_chemical_formula_sum '[K6 Ca3 Hf9 O24]'
_cell_volume [727.4570]
_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  3  0.0000  0.0000  0.5083  1.0
  K  K1  3  0.0000  0.0000  0.8621  1.0
  Ca  Ca2  3  0.0000  0.0000  0.0294  1.0
  Hf  Hf3  9  0.0030  0.5015  0.0081  1.0
  O  O4  9  0.0181  0.5090  0.2911  1.0
  O  O5  9  0.1865  0.3731  0.0645  1.0
  O  O6  3  0.0000  0.0000  0.2875  1.0
  O  O7  3  0.0000  0.0000  0.7290  1.0
]