data_[Pu4Hg2B4Rh10]
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
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7852]
_cell_length_b [9.7852]
_cell_length_c [3.2170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Pu2HgB2Rh5]
_chemical_formula_sum '[Pu4 Hg2 B4 Rh10]'
_cell_volume [308.0236]
_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  0.1774  0.3226  0.0000  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  B  B2  4  0.1204  0.6204  0.0000  1
  Rh  Rh3  8  0.0703  0.7692  0.5000  1
  Rh  Rh4  2  0.0000  0.5000  0.5000  1
]