data_[Pu4Sn8Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.5757]
_cell_length_b [10.2076]
_cell_length_c [5.0333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pu2Sn4Hg]
_chemical_formula_sum '[Pu4 Sn8 Hg2]'
_cell_volume [389.2258]
_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
[
  Pu  Pu0  4  0.0000  0.2876  0.0000  1
  Sn  Sn1  4  0.1950  0.0000  0.0000  1
  Sn  Sn2  4  0.2500  0.2500  0.5000  1
  Hg  Hg3  2  0.0000  0.5000  0.5000  1
]