data_[Hf6O14F2]
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 [Cmmm]
_cell_length_a [4.0591]
_cell_length_b [21.5559]
_cell_length_c [4.1479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf3O7F]
_chemical_formula_sum '[Hf6 O14 F2]'
_cell_volume [362.9357]
_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
[
  Hf  Hf0  4  0.0000  0.1876  0.0000  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.0000  0.0948  0.0000  1
  O  O3  4  0.0000  0.1851  0.5000  1
  O  O4  4  0.0000  0.2901  0.0000  1
  O  O5  2  0.0000  0.5000  0.0000  1
  F  F6  2  0.0000  0.0000  0.5000  1
]