data_[Np4In4Hg8I24]
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
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.5885]
_cell_length_b [12.5885]
_cell_length_c [12.5885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [NpIn(HgI3)2]
_chemical_formula_sum '[Np4 In4 Hg8 I24]'
_cell_volume [1994.9209]
_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  0.0000  0.5000  1
  In  In1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.2500  0.2500  0.2500  1
  I  I3  24  0.0000  0.0000  0.2671  1
]