data_[Np12Pd4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1038]
_cell_length_b [13.4882]
_cell_length_c [6.6642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Np3PdSe6]
_chemical_formula_sum '[Np12 Pd4 Se24]'
_cell_volume [998.0955]
_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
[
  Np  Np0  8  0.1733  0.1022  0.4697  1
  Np  Np1  4  0.0000  0.3922  0.3718  1
  Pd  Pd2  4  0.0000  0.1997  0.0550  1
  Se  Se3  8  0.1629  0.4658  0.6699  1
  Se  Se4  8  0.1865  0.2717  0.2165  1
  Se  Se5  4  0.0000  0.0248  0.1861  1
  Se  Se6  4  0.0000  0.2277  0.6603  1
]