data_[Ba6Nd3Np9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9951]
_cell_length_b [6.9951]
_cell_length_c [19.4319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba2NdNp3N8]
_chemical_formula_sum '[Ba6 Nd3 Np9 N24]'
_cell_volume [823.4456]
_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  0.1342  1
  Ba  Ba1  3  0.0000  0.0000  0.4934  1
  Nd  Nd2  3  0.0000  0.0000  0.9545  1
  Np  Np3  9  0.1681  0.3362  0.3276  1
  N  N4  9  0.0498  0.5249  0.2695  1
  N  N5  9  0.1757  0.3514  0.0441  1
  N  N6  3  0.0000  0.0000  0.2765  1
  N  N7  3  0.0000  0.0000  0.7104  1
]