data_[Pu8Mg4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [3.5534]
_cell_length_b [16.1576]
_cell_length_c [10.4297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Pu2MgPb3]
_chemical_formula_sum '[Pu8 Mg4 Pb12]'
_cell_volume [598.8195]
_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
[
  Pu  Pu0  8  0.0000  0.0785  0.1796  1
  Mg  Mg1  4  0.0000  0.2500  0.8700  1
  Pb  Pb2  8  0.0000  0.0866  0.6046  1
  Pb  Pb3  4  0.0000  0.2500  0.3786  1
]