data_[Fe4P4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1343]
_cell_length_b [5.1509]
_cell_length_c [5.1217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [FePN]
_chemical_formula_sum '[Fe4 P4 N4]'
_cell_volume [120.6013]
_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
[
  Fe  Fe0  4  0.2308  0.5113  0.7375  1
  P  P1  4  0.3147  0.1106  0.6836  1
  N  N2  4  0.1660  0.6102  0.3291  1
]