data_[Pu6Ge12Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5574]
_cell_length_b [4.0137]
_cell_length_c [9.7713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuGe2Rh3]
_chemical_formula_sum '[Pu6 Ge12 Rh18]'
_cell_volume [618.5573]
_cell_formula_units_Z [6]
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  0.1651  0.0000  0.7073  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0401  0.5000  0.7780  1
  Ge  Ge3  4  0.1385  0.5000  0.4559  1
  Ge  Ge4  4  0.1918  0.0000  0.1250  1
  Rh  Rh5  4  0.0411  0.0000  0.3318  1
  Rh  Rh6  4  0.1155  0.5000  0.1938  1
  Rh  Rh7  4  0.1806  0.5000  0.9593  1
  Rh  Rh8  4  0.2154  0.0000  0.3921  1
  Rh  Rh9  2  0.0000  0.5000  0.5000  1
]