data_[Pu6Np2Sc4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7007]
_cell_length_b [4.0030]
_cell_length_c [8.1598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3Np(ScSe3)2]
_chemical_formula_sum '[Pu6 Np2 Sc4 Se12]'
_cell_volume [560.3379]
_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
[
  Pu  Pu0  4  0.1641  0.0000  0.8305  1
  Pu  Pu1  2  0.0000  0.5000  0.5000  1
  Sc  Sc2  4  0.1652  0.0000  0.3283  1
  Np  Np3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0057  0.0000  0.2526  1
  Se  Se5  4  0.1685  0.5000  0.0960  1
  Se  Se6  4  0.1717  0.5000  0.5709  1
]