data_[La4Pu4U4]
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
  U  1.3800  1.7500  0.9913
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4197]
_cell_length_b [4.1527]
_cell_length_c [5.3542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPuU]
_chemical_formula_sum '[La4 Pu4 U4]'
_cell_volume [319.1997]
_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  0.0672  0.5000  0.7675  1
  Pu  Pu1  4  0.1668  0.0000  0.3286  1
  U  U2  4  0.2449  0.0000  0.7830  1
]