data_[Cs4Np4Pa4S24]
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
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.4869]
_cell_length_b [9.5958]
_cell_length_c [13.4210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsNpPaS6]
_chemical_formula_sum '[Cs4 Np4 Pa4 S24]'
_cell_volume [1221.7727]
_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  0.0000  0.2500  0.8770  1
  Np  Np1  4  0.0000  0.0000  0.5000  1
  Pa  Pa2  4  0.2500  0.2500  0.2500  1
  S  S3  16  0.1938  0.0429  0.3740  1
  S  S4  4  0.0000  0.2500  0.1672  1
  S  S5  4  0.0000  0.2500  0.5644  1
]