data_[Hf4O12F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7903]
_cell_length_b [10.0310]
_cell_length_c [7.0482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HfO3F4]
_chemical_formula_sum '[Hf4 O12 F16]'
_cell_volume [467.3059]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  4  0.2637  0.5345  0.5520  1
  O  O1  4  0.1958  0.7445  0.0069  1
  O  O2  4  0.2311  0.1543  0.2349  1
  O  O3  4  0.2509  0.1652  0.5689  1
  F  F4  4  0.0180  0.0942  0.8983  1
  F  F5  4  0.1916  0.6047  0.2780  1
  F  F6  4  0.3882  0.5851  0.8203  1
  F  F7  4  0.4469  0.1136  0.9772  1
]