data_[Np2H6F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [6.6999]
_cell_length_b [6.6999]
_cell_length_c [7.9058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [NpH3F8]
_chemical_formula_sum '[Np2 H6 F16]'
_cell_volume [307.3371]
_cell_formula_units_Z [2]
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  2  0.3333  0.6667  0.0733  1
  H  H1  6  0.0447  0.9553  0.2332  1
  F  F2  6  0.0010  0.5005  0.5034  1
  F  F3  6  0.1921  0.3843  0.2319  1
  F  F4  2  0.0000  0.0000  0.4825  1
  F  F5  2  0.3333  0.6667  0.8118  1
]