data_[Np4Fe4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5539]
_cell_length_b [3.6235]
_cell_length_c [4.8028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpFeN]
_chemical_formula_sum '[Np4 Fe4 N4]'
_cell_volume [180.7418]
_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
[
  Np  Np0  4  0.1670  0.5000  0.2078  1
  Fe  Fe1  4  0.0459  0.0000  0.7759  1
  N  N2  4  0.1427  0.0000  0.4751  1
]