data_[Np12B4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1090]
_cell_length_b [13.6401]
_cell_length_c [6.6376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Np3BSe6]
_chemical_formula_sum '[Np12 B4 Se24]'
_cell_volume [1005.7703]
_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
[
  Np  Np0  8  0.1771  0.0981  0.4837  1
  Np  Np1  4  0.0000  0.3936  0.3992  1
  B  B2  4  0.0000  0.1991  0.0323  1
  Se  Se3  8  0.1540  0.2570  0.1684  1
  Se  Se4  8  0.1603  0.4711  0.6945  1
  Se  Se5  4  0.0000  0.0529  0.1447  1
  Se  Se6  4  0.0000  0.2127  0.7160  1
]