data_[P2N2O4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  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 [7.9234]
_cell_length_b [6.7595]
_cell_length_c [4.9260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PN(OF3)2]
_chemical_formula_sum '[P2 N2 O4 F12]'
_cell_volume [263.8101]
_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  0.0000  0.0000  0.0000  1.0
  N  N1  2  0.0000  0.5000  0.5000  1.0
  O  O2  4  0.1229  0.5000  0.3827  1.0
  F  F3  8  0.0650  0.1722  0.7902  1.0
  F  F4  4  0.1845  0.0000  0.1530  1.0
]