data_[Np4Pa6N18]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8263]
_cell_length_b [3.8263]
_cell_length_c [26.5717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Np2(PaN3)3]
_chemical_formula_sum '[Np4 Pa6 N18]'
_cell_volume [389.0236]
_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  0.5000  0.0534  1
  Pa  Pa1  4  0.0000  0.5000  0.6522  1
  Pa  Pa2  2  0.0000  0.5000  0.2500  1
  N  N3  4  0.0000  0.0000  0.0834  1
  N  N4  4  0.0000  0.0000  0.1944  1
  N  N5  4  0.0000  0.0000  0.2997  1
  N  N6  4  0.0000  0.0000  0.4027  1
  N  N7  2  0.0000  0.0000  0.5000  1
]