data_[Np2Ni12B7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.7031]
_cell_length_b [8.7031]
_cell_length_c [3.2843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Np2Ni12B7]
_chemical_formula_sum '[Np2 Ni12 B7]'
_cell_volume [215.4397]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Np  Np1  1  0.6667  0.3333  0.0000  1
  Ni  Ni2  3  0.0674  0.5152  0.0000  1
  Ni  Ni3  3  0.2016  0.7671  0.5000  1
  Ni  Ni4  3  0.2783  0.2352  0.0000  1
  Ni  Ni5  3  0.3797  0.0986  0.5000  1
  B  B6  3  0.0513  0.2713  0.0000  1
  B  B7  3  0.4432  0.3832  0.5000  1
  B  B8  1  0.3333  0.6667  0.0000  1
]