data_[P4H4N8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.7285]
_cell_length_b [4.7616]
_cell_length_c [7.0699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [PHN2]
_chemical_formula_sum '[P4 H4 N8]'
_cell_volume [159.1806]
_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  4  0.0254  0.2596  0.1154  1.0
  H  H1  4  0.1498  0.9607  0.8081  1.0
  N  N2  4  0.1431  0.0156  0.2666  1.0
  N  N3  4  0.2013  0.6061  0.5171  1.0
]