data_[P2O2F2]
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]
_cell_length_a [4.6074]
_cell_length_b [4.4639]
_cell_length_c [5.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [POF]
_chemical_formula_sum '[P2 O2 F2]'
_cell_volume [116.8543]
_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  0.1101  0.2215  0.1735  1.0
  O  O1  2  0.1350  0.9254  0.0183  1.0
  F  F2  2  0.1343  0.6119  0.6772  1.0
]