data_[Np4S4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.2788]
_cell_length_b [7.1491]
_cell_length_c [14.1195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NpSCl3]
_chemical_formula_sum '[Np4 S4 Cl12]'
_cell_volume [733.4907]
_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  4  0.0853  0.4073  0.1353  1
  S  S1  4  0.1310  0.1443  0.2792  1
  Cl  Cl2  4  0.1036  0.2834  0.5241  1
  Cl  Cl3  4  0.2171  0.4104  0.7917  1
  Cl  Cl4  4  0.3814  0.2845  0.0785  1
]