data_[Np24Cd40Se96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.3666]
_cell_length_b [16.3666]
_cell_length_c [16.3666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Np3Cd5Se12]
_chemical_formula_sum '[Np24 Cd40 Se96]'
_cell_volume [4384.0703]
_cell_formula_units_Z [8]
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
[
  Np  Np0  24  0.0000  0.2500  0.1250  1
  Cd  Cd1  24  0.0000  0.2500  0.3750  1
  Cd  Cd2  16  0.0000  0.0000  0.0000  1
  Se  Se3  96  0.0178  0.4287  0.1542  1
]