data_[Np8Se10S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7591]
_cell_length_b [4.0610]
_cell_length_c [8.0351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np4Se5S]
_chemical_formula_sum '[Np8 Se10 S2]'
_cell_volume [560.4874]
_cell_formula_units_Z [2]
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  4  0.0004  0.0000  0.2466  1
  Np  Np1  4  0.1682  0.5000  0.0996  1
  Se  Se2  4  0.1644  0.0000  0.3378  1
  Se  Se3  4  0.1669  0.0000  0.8460  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  S  S5  2  0.0000  0.5000  0.0000  1
]