data_[Np2U2Pb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  U  1.3800  1.7500  0.9913
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.3510]
_cell_length_b [6.3510]
_cell_length_c [12.3410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NpUPbS6]
_chemical_formula_sum '[Np2 U2 Pb2 S12]'
_cell_volume [497.7757]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.6678  1
  U  U1  2  0.0000  0.0000  0.3326  1
  Pb  Pb2  2  0.0000  0.0000  0.9998  1
  S  S3  4  0.1777  0.8223  0.4960  1
  S  S4  4  0.2008  0.7992  0.1856  1
  S  S5  4  0.2101  0.7899  0.8182  1
]