data_[P8H56C8N16O40]
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
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [7.6327]
_cell_length_b [9.0235]
_cell_length_c [17.7426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [PH7CN2O5]
_chemical_formula_sum '[P8 H56 C8 N16 O40]'
_cell_volume [1221.9999]
_cell_formula_units_Z [8]
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  8  0.2207  0.6917  0.8117  1
  H  H1  8  0.0112  0.2170  0.5881  1
  H  H2  8  0.0113  0.1076  0.7940  1
  H  H3  8  0.0591  0.5071  0.1485  1
  H  H4  8  0.1765  0.6472  0.1021  1
  H  H5  8  0.1774  0.0928  0.9879  1
  H  H6  8  0.1926  0.5878  0.4502  1
  H  H7  8  0.1982  0.0915  0.2614  1
  C  C8  8  0.1818  0.0553  0.5505  1
  N  N9  8  0.1314  0.5411  0.1030  1
  N  N10  8  0.2159  0.5145  0.4934  1
  O  O11  8  0.0916  0.1364  0.8374  1
  O  O12  8  0.1125  0.5650  0.7772  1
  O  O13  8  0.1324  0.1943  0.5536  1
  O  O14  8  0.1368  0.7408  0.3821  1
  O  O15  8  0.2455  0.6903  0.2470  1
]