data_[K4Np8F44]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.6426]
_cell_length_b [10.1276]
_cell_length_c [11.7406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [KNp2F11]
_chemical_formula_sum '[K4 Np8 F44]'
_cell_volume [1146.5444]
_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  0.5000  0.2500  1
  Np  Np1  8  0.1587  0.1630  0.5000  1
  F  F2  16  0.0616  0.2705  0.3748  1
  F  F3  16  0.2331  0.4373  0.1235  1
  F  F4  8  0.1878  0.1969  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]