data_[Nd2Np2Se2N4]
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
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8603]
_cell_length_b [3.8603]
_cell_length_c [12.4736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [NdNpSeN2]
_chemical_formula_sum '[Nd2 Np2 Se2 N4]'
_cell_volume [185.8802]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.8522  1
  Np  Np1  2  0.0000  0.0000  0.1634  1
  Se  Se2  2  0.0000  0.0000  0.5047  1
  N  N3  4  0.0000  0.5000  0.2399  1
]