data_[K2Hf4Sc4O14]
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
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2258]
_cell_length_b [4.2258]
_cell_length_c [17.9739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [KHf2Sc2O7]
_chemical_formula_sum '[K2 Hf4 Sc4 O14]'
_cell_volume [320.9648]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  4  0.0000  0.0000  0.3884  1.0
  Sc  Sc2  4  0.0000  0.5000  0.2500  1.0
  O  O3  8  0.0000  0.5000  0.1277  1.0
  O  O4  4  0.0000  0.0000  0.2674  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]