data_[Ba3Na3Np12N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9317]
_cell_length_b [6.9317]
_cell_length_c [16.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaNaNp4N8]
_chemical_formula_sum '[Ba3 Na3 Np12 N24]'
_cell_volume [699.7250]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.6179  1
  Na  Na1  3  0.0000  0.0000  0.0016  1
  Np  Np2  9  0.0049  0.5024  0.4997  1
  Np  Np3  3  0.0000  0.0000  0.3847  1
  N  N4  9  0.0161  0.5081  0.7682  1
  N  N5  9  0.1982  0.3965  0.5601  1
  N  N6  3  0.0000  0.0000  0.2382  1
  N  N7  3  0.0000  0.0000  0.7733  1
]