data_[Np4H4I14]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2949]
_cell_length_b [10.9016]
_cell_length_c [7.7492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2H2I7]
_chemical_formula_sum '[Np4 H4 I14]'
_cell_volume [851.3947]
_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  4  0.2148  0.5000  0.9973  1
  H  H1  4  0.0000  0.2453  0.5000  1
  I  I2  8  0.1702  0.2505  0.7261  1
  I  I3  4  0.0889  0.5000  0.2878  1
  I  I4  2  0.0000  0.0000  0.0000  1
]