data_[Nd4Y6Pu2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1059]
_cell_length_b [4.1144]
_cell_length_c [8.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y3PuSe6]
_chemical_formula_sum '[Nd4 Y6 Pu2 Se12]'
_cell_volume [603.8212]
_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
[
  Nd  Nd0  4  0.1658  0.0000  0.3320  1
  Y  Y1  4  0.1676  0.0000  0.8359  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0034  0.0000  0.7484  1
  Se  Se5  4  0.1641  0.5000  0.5910  1
  Se  Se6  4  0.1674  0.5000  0.0759  1
]