data_[Np4Fe4N4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.2151]
_cell_length_b [7.7958]
_cell_length_c [5.1215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [NpFeNO]
_chemical_formula_sum '[Np4 Fe4 N4 O4]'
_cell_volume [248.1469]
_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  0.0504  0.1494  0.0381  1
  Fe  Fe1  4  0.0714  0.6148  0.0198  1
  N  N2  4  0.0719  0.1431  0.5332  1
  O  O3  4  0.1205  0.5829  0.6113  1
]