data_[Nd8Np4Fe4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [Cmc2_1]
_cell_length_a [3.4780]
_cell_length_b [13.7477]
_cell_length_c [10.3674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2NpFeN5]
_chemical_formula_sum '[Nd8 Np4 Fe4 N20]'
_cell_volume [495.7061]
_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
[
  Nd  Nd0  4  0.0000  0.1100  0.6839  1
  Nd  Nd1  4  0.0000  0.1310  0.3329  1
  Np  Np2  4  0.0000  0.1920  0.0234  1
  Fe  Fe3  4  0.0000  0.4584  0.4416  1
  N  N4  4  0.0000  0.0266  0.0082  1
  N  N5  4  0.0000  0.2975  0.6558  1
  N  N6  4  0.0000  0.3231  0.3884  1
  N  N7  4  0.0000  0.3408  0.0091  1
  N  N8  4  0.0000  0.4961  0.7806  1
]