data_[Np3Ni6H24Ru3]
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
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.5264]
_cell_length_b [4.5264]
_cell_length_c [15.5333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NpNi2H8Ru]
_chemical_formula_sum '[Np3 Ni6 H24 Ru3]'
_cell_volume [275.6191]
_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  0.5000  1
  Ni  Ni1  6  0.0000  0.0000  0.2811  1
  H  H2  18  0.0186  0.7061  0.6132  1
  H  H3  6  0.0000  0.0000  0.1794  1
  Ru  Ru4  3  0.0000  0.0000  0.0000  1
]