data_[Np6Al51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2865]
_cell_length_b [9.2865]
_cell_length_c [13.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Np2Al17]
_chemical_formula_sum '[Np6 Al51]'
_cell_volume [1013.0436]
_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
[
  Np  Np0  6  0.0000  0.0000  0.3315  1
  Al  Al1  18  0.0000  0.3014  0.0000  1
  Al  Al2  18  0.0083  0.5041  0.1514  1
  Al  Al3  9  0.0000  0.5000  0.5000  1
  Al  Al4  6  0.0000  0.0000  0.0981  1
]