data_[K4Np4Ag4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/c]
_cell_length_a [10.1666]
_cell_length_b [13.6751]
_cell_length_c [11.5087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNpAgI5]
_chemical_formula_sum '[K4 Np4 Ag4 I20]'
_cell_volume [1469.8740]
_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
[
  K  K0  4  0.0000  0.3639  0.2500  1
  Np  Np1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.3099  0.7500  1
  I  I3  8  0.1316  0.2009  0.6156  1
  I  I4  8  0.1880  0.4346  0.9490  1
  I  I5  4  0.0000  0.0925  0.2500  1
]