data_[K1Np2Ag1I8]
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 [P-1]
_cell_length_a [7.4980]
_cell_length_b [7.8028]
_cell_length_c [9.4069]
_cell_angle_alpha [90.2278]
_cell_angle_beta [90.0711]
_cell_angle_gamma [96.3746]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNp2AgI8]
_chemical_formula_sum '[K1 Np2 Ag1 I8]'
_cell_volume [546.9474]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Np  Np1  2  0.4968  0.4990  0.7579  1
  Ag  Ag2  1  0.0000  0.0000  0.0000  1
  I  I3  2  0.2454  0.1577  0.7849  1
  I  I4  2  0.2609  0.1577  0.2282  1
  I  I5  2  0.2690  0.6399  0.0024  1
  I  I6  2  0.2815  0.6344  0.4986  1
]