data_[La4Pu16Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1383]
_cell_length_b [13.7003]
_cell_length_c [21.0353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La(Pu2Se3)2]
_chemical_formula_sum '[La4 Pu16 Se24]'
_cell_volume [1192.6210]
_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
[
  La  La0  4  0.0000  0.3438  0.7500  1
  Pu  Pu1  8  0.0000  0.1380  0.0398  1
  Pu  Pu2  8  0.0000  0.4074  0.1283  1
  Se  Se3  8  0.0000  0.0463  0.1662  1
  Se  Se4  8  0.0000  0.2308  0.5881  1
  Se  Se5  4  0.0000  0.3140  0.2500  1
  Se  Se6  4  0.0000  0.5000  0.0000  1
]