data_[Pu4Bi4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0999]
_cell_length_b [3.8468]
_cell_length_c [6.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuBiRh3]
_chemical_formula_sum '[Pu4 Bi4 Rh12]'
_cell_volume [391.5074]
_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  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.0000  0.5000  0.5000  1
  Bi  Bi2  4  0.2326  0.0000  0.2328  1
  Rh  Rh3  4  0.1145  0.0000  0.6505  1
  Rh  Rh4  4  0.1248  0.5000  0.9522  1
  Rh  Rh5  4  0.1335  0.5000  0.3628  1
]