data_[Np6Pa4Nb2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9207]
_cell_length_b [10.2555]
_cell_length_c [5.9080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np3Pa2NbN6]
_chemical_formula_sum '[Np6 Pa4 Nb2 N12]'
_cell_volume [338.0174]
_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
[
  Np  Np0  4  0.0000  0.1659  0.5000  1
  Np  Np1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  4  0.0000  0.3334  0.0000  1
  Nb  Nb3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2399  0.1601  0.2394  1
  N  N5  4  0.2397  0.0000  0.7585  1
]