data_[Pu1Pd15Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1151]
_cell_length_b [4.1151]
_cell_length_c [20.6185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PuPd15Pb4]
_chemical_formula_sum '[Pu1 Pd15 Pb4]'
_cell_volume [349.1598]
_cell_formula_units_Z [1]
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
[
  Pu  Pu0  1  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.0000  0.5000  0.1002  1
  Pd  Pd2  4  0.0000  0.5000  0.3008  1
  Pd  Pd3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  2  0.5000  0.5000  0.2013  1
  Pd  Pd5  2  0.5000  0.5000  0.4003  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
  Pb  Pb7  2  0.0000  0.0000  0.2018  1
  Pb  Pb8  2  0.0000  0.0000  0.4007  1
]