data_[P16H64N16O48]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.5720]
_cell_length_b [10.9300]
_cell_length_c [12.7687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [PH4NO3]
_chemical_formula_sum '[P16 H64 N16 O48]'
_cell_volume [1475.4507]
_cell_formula_units_Z [16]
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  0.0000  0.0335  0.1503  1
  P  P1  8  0.2113  0.5000  0.5000  1
  H  H2  16  0.0810  0.1551  0.5000  1
  H  H3  16  0.1693  0.2214  0.2514  1
  H  H4  16  0.2466  0.1701  0.6827  1
  H  H5  8  0.0000  0.1261  0.3877  1
  H  H6  8  0.0000  0.2324  0.9332  1
  N  N7  8  0.0000  0.1765  0.4566  1
  N  N8  8  0.2500  0.2250  0.7500  1
  O  O9  16  0.1178  0.4219  0.5756  1
  O  O10  16  0.2159  0.0921  0.5634  1
  O  O11  8  0.0000  0.1024  0.8372  1
  O  O12  8  0.0000  0.1200  0.2416  1
]