data_[Np3H18Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9165]
_cell_length_b [11.9165]
_cell_length_c [14.5923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Np(HCl2)6]
_chemical_formula_sum '[Np3 H18 Cl36]'
_cell_volume [1794.5265]
_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  0.0000  1
  H  H1  18  0.0677  0.1405  0.6222  1
  Cl  Cl2  18  0.0125  0.1741  0.9026  1
  Cl  Cl3  18  0.0267  0.1851  0.3783  1
]