data_[Li4Np2Ag2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [9.5175]
_cell_length_b [9.5175]
_cell_length_c [10.2657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Li2NpAgI8]
_chemical_formula_sum '[Li4 Np2 Ag2 I16]'
_cell_volume [929.8932]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.7500  1
  Np  Np2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  2  0.0000  0.5000  0.2500  1
  I  I4  8  0.0000  0.1900  0.2843  1
  I  I5  8  0.0000  0.3037  0.9369  1
]