data_[K12Np3U9Se24]
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
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4319]
_cell_length_b [8.4319]
_cell_length_c [23.2526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4NpU3Se8]
_chemical_formula_sum '[K12 Np3 U9 Se24]'
_cell_volume [1431.6913]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  K  K1  3  -0.0000  -0.0000  0.0000  1
  Np  Np2  3  0.0000  0.0000  0.5000  1
  U  U3  9  0.0000  0.5000  0.5000  1
  Se  Se4  18  0.0018  0.5009  0.7639  1
  Se  Se5  6  0.0000  0.0000  0.2362  1
]