data_[Np3U18Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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-3]
_cell_length_a [11.7527]
_cell_length_b [11.7527]
_cell_length_c [14.3786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Np(USe2)6]
_chemical_formula_sum '[Np3 U18 Se36]'
_cell_volume [1719.9687]
_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
[
  Np  Np0  3  0.0000  0.0000  0.0000  1
  U  U1  18  0.0466  0.2683  0.6961  1
  Se  Se2  18  0.0209  0.2130  0.8931  1
  Se  Se3  18  0.0305  0.1899  0.3822  1
]