data_[La12Y4Pu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.5981]
_cell_length_b [8.9317]
_cell_length_c [9.2898]
_cell_angle_alpha [86.2604]
_cell_angle_beta [85.0531]
_cell_angle_gamma [61.3339]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La6Y2Pu]
_chemical_formula_sum '[La12 Y4 Pu2]'
_cell_volume [623.4077]
_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
[
  La  La0  2  0.0639  0.7130  0.1356  1
  La  La1  2  0.0739  0.6405  0.5248  1
  La  La2  2  0.2332  0.9022  0.3894  1
  La  La3  2  0.3001  0.4663  0.8475  1
  La  La4  2  0.3581  0.8860  0.9995  1
  La  La5  2  0.4623  0.3639  0.3490  1
  Y  Y6  2  0.1854  0.2702  0.1665  1
  Y  Y7  2  0.3539  0.0994  0.6607  1
  Pu  Pu8  2  0.1001  0.8872  0.7813  1
]