data_[Np6Fe6Ni45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2634]
_cell_length_b [8.2634]
_cell_length_c [12.0989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Np2Fe2Ni15]
_chemical_formula_sum '[Np6 Fe6 Ni45]'
_cell_volume [715.4649]
_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  0.3379  1
  Fe  Fe1  6  0.0000  0.0000  0.0973  1
  Ni  Ni2  18  0.0000  0.2997  0.0000  1
  Ni  Ni3  18  0.0017  0.5008  0.1540  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]