data_[Cs4Np4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7463]
_cell_length_b [7.5984]
_cell_length_c [7.2698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNpS4]
_chemical_formula_sum '[Cs4 Np4 S16]'
_cell_volume [807.7936]
_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
[
  Cs  Cs0  4  0.1984  0.0000  0.1914  1
  Np  Np1  4  0.0391  0.5000  0.2665  1
  S  S2  8  0.0699  0.2611  0.5392  1
  S  S3  4  0.0000  0.2764  0.0000  1
  S  S4  4  0.2046  0.5000  0.2617  1
]