data_[Ce8Np4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8025]
_cell_length_b [8.0587]
_cell_length_c [7.4322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce2NpS5]
_chemical_formula_sum '[Ce8 Np4 S20]'
_cell_volume [706.8921]
_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
[
  Ce  Ce0  8  0.1775  0.5011  0.4761  1
  Np  Np1  4  0.0076  0.7500  0.9307  1
  S  S2  8  0.0965  0.0417  0.8362  1
  S  S3  4  0.0015  0.7500  0.5424  1
  S  S4  4  0.1888  0.7500  0.1680  1
  S  S5  4  0.2149  0.2500  0.1979  1
]