data_[Fe4Sb4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1037]
_cell_length_b [3.2735]
_cell_length_c [6.5117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeSbN]
_chemical_formula_sum '[Fe4 Sb4 N4]'
_cell_volume [193.5861]
_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  2  0.1406  0.5000  0.2004  1
  Fe  Fe1  2  0.2791  0.0000  0.4081  1
  Sb  Sb2  2  0.0135  0.0000  0.4998  1
  Sb  Sb3  2  0.3658  0.0000  0.9882  1
  N  N4  2  0.2246  0.5000  0.9464  1
  N  N5  2  0.4124  0.0000  0.6574  1
]