data_[La4Pu8C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.5649]
_cell_length_b [6.5649]
_cell_length_c [10.6512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [La(PuC)2]
_chemical_formula_sum '[La4 Pu8 C8]'
_cell_volume [459.0448]
_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  0.0000  0.0303  1
  Pu  Pu1  8  0.0000  0.2413  0.6452  1
  C  C2  8  0.0000  0.2203  0.4300  1
]