data_[Np2Pa6N12]
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 [P2_1/m]
_cell_length_a [9.1944]
_cell_length_b [3.5696]
_cell_length_c [9.3538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Np(PaN2)3]
_chemical_formula_sum '[Np2 Pa6 N12]'
_cell_volume [296.9441]
_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  2  0.0691  0.2500  0.6736  1
  Pa  Pa1  2  0.1704  0.2500  0.0769  1
  Pa  Pa2  2  0.3135  0.7500  0.4748  1
  Pa  Pa3  2  0.4603  0.2500  0.8211  1
  N  N4  2  0.0722  0.7500  0.9150  1
  N  N5  2  0.1087  0.2500  0.4442  1
  N  N6  2  0.2630  0.7500  0.2207  1
  N  N7  2  0.2849  0.7500  0.7124  1
  N  N8  2  0.4113  0.2500  0.0531  1
  N  N9  2  0.4496  0.2500  0.5818  1
]