data_[P10N12Cl16O4]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.2711]
_cell_length_b [11.4262]
_cell_length_c [12.3318]
_cell_angle_alpha [100.4400]
_cell_angle_beta [99.7767]
_cell_angle_gamma [101.6073]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [P5N6(Cl4O)2]
_chemical_formula_sum '[P10 N12 Cl16 O4]'
_cell_volume [1096.6794]
_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  0.1100  0.8410  0.3124  1
  P  P1  2  0.1833  0.3241  0.6347  1
  P  P2  2  0.2548  0.3460  0.2304  1
  P  P3  2  0.4237  0.2155  0.0891  1
  P  P4  2  0.4915  0.7524  0.6832  1
  N  N5  2  0.0020  0.7554  0.3748  1
  N  N6  2  0.3010  0.3031  0.1116  1
  N  N7  2  0.3207  0.7242  0.5672  1
  N  N8  2  0.3638  0.3123  0.3387  1
  N  N9  2  0.4190  0.8241  0.5753  1
  N  N10  2  0.4491  0.8018  0.8004  1
  Cl  Cl11  2  0.0116  0.2749  0.2232  1
  Cl  Cl12  2  0.0337  0.7802  0.1397  1
  Cl  Cl13  2  0.0449  0.0066  0.3345  1
  Cl  Cl14  2  0.2522  0.4526  0.7872  1
  Cl  Cl15  2  0.2778  0.5252  0.2639  1
  Cl  Cl16  2  0.2917  0.0475  0.0051  1
  Cl  Cl17  2  0.3507  0.2169  0.6613  1
  Cl  Cl18  2  0.4321  0.7280  0.0131  1
  O  O19  2  0.2149  0.3879  0.5436  1
  O  O20  2  0.2965  0.8605  0.3432  1
]