data_[Np3Ni51Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2075]
_cell_length_b [8.2075]
_cell_length_c [12.0584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NpNi17Sn]
_chemical_formula_sum '[Np3 Ni51 Sn3]'
_cell_volume [703.4678]
_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  3  0.0000  0.0000  0.6622  1
  Ni  Ni1  18  0.0009  0.2983  0.9989  1
  Ni  Ni2  9  0.0114  0.5057  0.8495  1
  Ni  Ni3  9  0.0153  0.5077  0.4962  1
  Ni  Ni4  9  0.0173  0.5086  0.1521  1
  Ni  Ni5  3  0.0000  0.0000  0.1040  1
  Ni  Ni6  3  0.0000  0.0000  0.9047  1
  Sn  Sn7  3  0.0000  0.0000  0.3427  1
]