data_[P20N4]
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
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [6.7975]
_cell_length_b [6.6634]
_cell_length_c [10.5198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [P5N]
_chemical_formula_sum '[P20 N4]'
_cell_volume [476.4945]
_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  0.2493  0.2138  0.2745  1
  P  P1  4  0.2614  0.3686  0.0876  1
  P  P2  2  0.0000  0.0011  0.2161  1
  P  P3  2  0.0000  0.2029  0.0006  1
  P  P4  2  0.0000  0.2877  0.8019  1
  P  P5  2  0.5000  0.0162  0.7428  1
  P  P6  2  0.5000  0.1374  0.5590  1
  P  P7  2  0.5000  0.1665  0.9992  1
  N  N8  2  0.0000  0.0230  0.5609  1
  N  N9  2  0.5000  0.1928  0.8471  1
]