data_[Ce4Np8Fe4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [I4/mcm]
_cell_length_a [6.3571]
_cell_length_b [6.3571]
_cell_length_c [11.0136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CeNp2FeN5]
_chemical_formula_sum '[Ce4 Np8 Fe4 N20]'
_cell_volume [445.0882]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.2500  1
  Np  Np1  8  0.1706  0.3294  0.0000  1
  Fe  Fe2  4  0.0000  0.5000  0.2500  1
  N  N3  16  0.1488  0.3512  0.3631  1
  N  N4  4  0.0000  0.0000  0.0000  1
]