data_[Hf2Cu2O6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9274]
_cell_length_b [6.5454]
_cell_length_c [6.7439]
_cell_angle_alpha [106.5536]
_cell_angle_beta [105.6750]
_cell_angle_gamma [104.8805]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfCuO3F]
_chemical_formula_sum '[Hf2 Cu2 O6 F2]'
_cell_volume [149.1677]
_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  2  0.3609  0.2306  0.0233  1.0
  Cu  Cu1  2  0.2879  0.1988  0.5458  1.0
  O  O2  2  0.0207  0.9130  0.3218  1.0
  O  O3  2  0.1752  0.8607  0.9602  1.0
  O  O4  2  0.4631  0.5806  0.1735  1.0
  F  F5  2  0.4331  0.7057  0.6203  1.0
]