data_[Pu4Hg1Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5999]
_cell_length_b [4.8966]
_cell_length_c [9.7870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Pu4HgPb3]
_chemical_formula_sum '[Pu4 Hg1 Pb3]'
_cell_volume [220.4407]
_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  2  0.0000  0.5000  0.2361  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Pu  Pu2  1  0.0000  0.0000  0.5000  1
  Hg  Hg3  1  0.5000  0.5000  0.0000  1
  Pb  Pb4  2  0.5000  0.0000  0.2489  1
  Pb  Pb5  1  0.5000  0.5000  0.5000  1
]