data_[Np4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8582]
_cell_length_b [9.0891]
_cell_length_c [7.6958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NpI4]
_chemical_formula_sum '[Np4 I16]'
_cell_volume [1038.5857]
_cell_formula_units_Z [4]
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  0.0000  0.3651  0.2500  1
  I  I1  8  0.1140  0.3894  0.9296  1
  I  I2  8  0.1238  0.1462  0.3882  1
]