data_[Y8Np4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8607]
_cell_length_b [12.9521]
_cell_length_c [13.0319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y2NpS4]
_chemical_formula_sum '[Y8 Np4 S16]'
_cell_volume [651.6558]
_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
[
  Y  Y0  8  0.0000  0.1325  0.0679  1
  Np  Np1  4  0.0000  0.3793  0.2500  1
  S  S2  8  0.0000  0.2265  0.6237  1
  S  S3  4  0.0000  0.0333  0.2500  1
  S  S4  4  0.0000  0.5000  0.0000  1
]