data_[P4H48C8N24O12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  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 [Cm]
_cell_length_a [13.3481]
_cell_length_b [7.3550]
_cell_length_c [11.8678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PH12C2N6O3F]
_chemical_formula_sum '[P4 H48 C8 N24 O12 F4]'
_cell_volume [1011.1333]
_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
[
  P  P0  2  0.2747  0.0000  0.3047  1
  P  P1  2  0.3016  0.5000  0.8729  1
  H  H2  4  0.0817  0.2206  0.1307  1
  H  H3  4  0.0830  0.1661  0.3178  1
  H  H4  4  0.1079  0.2795  0.8529  1
  H  H5  4  0.1085  0.3335  0.6595  1
  H  H6  4  0.2423  0.3804  0.2872  1
  H  H7  4  0.2587  0.1194  0.8462  1
  H  H8  4  0.2692  0.2163  0.5014  1
  H  H9  4  0.2787  0.2551  0.6548  1
  H  H10  4  0.4626  0.1667  0.0093  1
  H  H11  4  0.4633  0.2630  0.3307  1
  H  H12  4  0.4755  0.2011  0.5150  1
  H  H13  4  0.4934  0.3409  0.8528  1
  C  C14  4  0.1156  0.2465  0.4992  1
  C  C15  2  0.0950  0.5000  0.1406  1
  C  C16  2  0.1195  0.0000  0.8495  1
  N  N17  4  0.0427  0.3416  0.0887  1
  N  N18  4  0.0504  0.2272  0.3700  1
  N  N19  4  0.0633  0.2783  0.5686  1
  N  N20  4  0.0692  0.1574  0.8498  1
  N  N21  4  0.2305  0.2330  0.5569  1
  N  N22  2  0.2009  0.5000  0.2446  1
  N  N23  2  0.2189  0.0000  0.8472  1
  O  O24  4  0.3259  0.1753  0.3813  1
  O  O25  4  0.3469  0.3245  0.8447  1
  O  O26  2  0.1425  0.0000  0.2282  1
  O  O27  2  0.1705  0.5000  0.8167  1
  F  F28  2  0.3140  0.0000  0.1957  1
  F  F29  2  0.3567  0.5000  0.0293  1
]