data_[Rb12Np4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Np  1.3600  1.7500  1.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [10.6582]
_cell_length_b [13.1282]
_cell_length_c [16.5068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Rb3NpI6]
_chemical_formula_sum '[Rb12 Np4 I24]'
_cell_volume [2309.6662]
_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
[
  Rb  Rb0  8  0.2500  0.2500  0.2500  1
  Rb  Rb1  4  0.0000  0.0000  0.5000  1
  Np  Np2  4  0.0000  0.0000  0.0000  1
  I  I3  16  0.2097  0.0000  0.1332  1
  I  I4  8  0.0000  0.2347  0.0000  1
]