data_[Cs4Np2Hg2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Np  1.3600  1.7500  1.0000
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.5171]
_cell_length_b [12.8401]
_cell_length_c [11.0783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2NpHgI6]
_chemical_formula_sum '[Cs4 Np2 Hg2 I12]'
_cell_volume [1211.5378]
_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
[
  Cs  Cs0  4  0.0000  0.2826  0.8285  1
  Np  Np1  2  0.0000  0.0000  0.1741  1
  Hg  Hg2  2  0.0000  0.5000  0.3430  1
  I  I3  4  0.0000  0.2349  0.1779  1
  I  I4  4  0.2435  0.0000  0.9755  1
  I  I5  4  0.2460  0.5000  0.6387  1
]