data_[K8Np12Cl38]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [12.4530]
_cell_length_b [12.4530]
_cell_length_c [12.4530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [K4Np6Cl19]
_chemical_formula_sum '[K8 Np12 Cl38]'
_cell_volume [1931.1834]
_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
[
  K  K0  8  0.1426  0.1426  0.8574  1
  Np  Np1  12  0.0000  0.3366  0.5000  1
  Cl  Cl2  24  0.0237  0.3089  0.2805  1
  Cl  Cl3  12  0.0000  0.0000  0.3495  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
]