data_[Np4In8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.3347]
_cell_length_b [9.6929]
_cell_length_c [9.1305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NpIn2I5]
_chemical_formula_sum '[Np4 In8 I20]'
_cell_volume [1268.6331]
_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  0.0022  0.7500  0.9276  1
  In  In1  8  0.1737  0.0034  0.4477  1
  I  I2  8  0.0809  0.0431  0.8314  1
  I  I3  4  0.0034  0.7500  0.5685  1
  I  I4  4  0.1845  0.7500  0.1249  1
  I  I5  4  0.2101  0.2500  0.1645  1
]