data_[Fe6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.0110]
_cell_length_b [9.2683]
_cell_length_c [4.3367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [FeN]
_chemical_formula_sum '[Fe6 N6]'
_cell_volume [121.0233]
_cell_formula_units_Z [6]
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  0.0000  0.1465  0.9527  1.0
  Fe  Fe1  2  0.0000  0.5000  0.5758  1.0
  N  N2  4  0.0000  0.3391  0.8105  1.0
  N  N3  2  0.0000  0.0000  0.6702  1.0
]