data_[Pu12Ge2Bi10]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8992]
_cell_length_b [7.8820]
_cell_length_c [5.5248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu6GeBi5]
_chemical_formula_sum '[Pu12 Ge2 Bi10]'
_cell_volume [678.1954]
_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  0.1602  0.2256  0.1412  1
  Pu  Pu1  4  0.0000  0.2089  0.5000  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.1543  0.5000  0.6572  1
  Bi  Bi4  4  0.1845  0.0000  0.6580  1
  Bi  Bi5  2  0.0000  0.5000  0.0000  1
]