data_[Hf4V4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0669]
_cell_length_b [6.8064]
_cell_length_c [6.5745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfVO4F]
_chemical_formula_sum '[Hf4 V4 O16 F4]'
_cell_volume [384.0011]
_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  0.2147  0.0000  0.1043  1.0
  V  V1  4  0.1529  0.5000  0.2907  1.0
  O  O2  8  0.2079  0.3065  0.1505  1.0
  O  O3  4  0.0448  0.5000  0.7686  1.0
  O  O4  4  0.2486  0.5000  0.5601  1.0
  F  F5  4  0.0172  0.0000  0.8323  1.0
]