data_[P2O2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0563]
_cell_length_b [5.6821]
_cell_length_c [5.6833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [POF3]
_chemical_formula_sum '[P2 O2 F6]'
_cell_volume [163.2732]
_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
[
  P  P0  2  0.3105  0.2500  0.3229  1.0
  O  O1  2  0.3806  0.2500  0.5725  1.0
  F  F2  4  0.1414  0.0398  0.2335  1.0
  F  F3  2  0.4586  0.7500  0.8543  1.0
]