data_[Li4Pu6Np2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0783]
_cell_length_b [3.8846]
_cell_length_c [9.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pu3NpSe6]
_chemical_formula_sum '[Li4 Pu6 Np2 Se12]'
_cell_volume [597.0480]
_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
[
  Li  Li0  4  0.1778  0.0000  0.8743  1
  Pu  Pu1  4  0.1651  0.5000  0.3494  1
  Pu  Pu2  2  0.0000  0.5000  0.5000  1
  Np  Np3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0214  0.0000  0.2455  1
  Se  Se5  4  0.1577  0.0000  0.5845  1
  Se  Se6  4  0.1658  0.5000  0.0435  1
]