[CIF]
data_PNClF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15397046
_cell_length_b   8.15397046
_cell_length_c   7.96907300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.27805535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PNClF
_chemical_formula_sum   'P6 N6 Cl6 F6'
_cell_volume   512.44718311
_cell_formula_units_Z   6
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  1  6.45691600  1.71164509  6.05076572  1
  P  P1  1  7.83816010  -3.05800863  0.09562888  1
  P  P2  1  5.07567190  3.05800863  4.08016538  1
  P  P3  1  7.83816010  3.05800863  4.08016538  1
  P  P4  1  5.07567190  -3.05800863  0.09562888  1
  P  P5  1  6.45691600  -1.71164509  2.06622922  1
  N  N6  1  5.08988357  2.07827608  5.33174017  1
  N  N7  1  7.82394843  -2.07827608  1.34720367  1
  N  N8  1  6.45691600  3.53953174  3.45678464  1
  N  N9  1  7.82394843  2.07827608  5.33174017  1
  N  N10  1  5.08988357  -2.07827608  1.34720367  1
  N  N11  1  6.45691600  -3.53953174  7.44132114  1
  Cl  Cl12  1  6.45691600  2.35855250  7.94140438  1
  Cl  Cl13  1  10.34776964  -0.35649770  4.43338657  1
  Cl  Cl14  1  10.34776964  0.35649770  0.44885007  1
  Cl  Cl15  1  2.56606236  0.35649770  0.44885007  1
  Cl  Cl16  1  6.45691600  -2.35855250  3.95686788  1
  Cl  Cl17  1  2.56606236  -0.35649770  4.43338657  1
  F  F18  1  4.25526261  -2.35345349  6.92760282  1
  F  F19  1  8.65856939  2.35345349  2.94306632  1
  F  F20  1  4.25526261  2.35345349  2.94306632  1
  F  F21  1  6.45691600  -0.16270035  2.32087298  1
  F  F22  1  6.45691600  0.16270035  6.30540948  1
  F  F23  1  8.65856939  -2.35345349  6.92760282  1
[/CIF]
