data_[Pu22Hg18Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.0517]
_cell_length_b [21.3731]
_cell_length_c [3.5883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pu11Hg9Rh4]
_chemical_formula_sum '[Pu22 Hg18 Rh8]'
_cell_volume [1154.3519]
_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  8  0.2497  0.3246  0.0000  1
  Pu  Pu1  4  0.0000  0.1491  0.0000  1
  Pu  Pu2  4  0.0000  0.3679  0.0000  1
  Pu  Pu3  4  0.1885  0.5000  0.0000  1
  Pu  Pu4  2  0.0000  0.0000  0.0000  1
  Hg  Hg5  8  0.1014  0.2555  0.5000  1
  Hg  Hg6  8  0.1499  0.0724  0.5000  1
  Hg  Hg7  2  0.0000  0.5000  0.5000  1
  Rh  Rh8  8  0.1524  0.3999  0.5000  1
]