data_[Pu36Mn3Ge18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.4674]
_cell_length_b [10.4674]
_cell_length_c [13.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu12MnGe6]
_chemical_formula_sum '[Pu36 Mn3 Ge18]'
_cell_volume [1259.8145]
_cell_formula_units_Z [3]
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  18  0.0062  0.5147  0.1187  1
  Pu  Pu1  18  0.0581  0.8431  0.8865  1
  Mn  Mn2  3  0.0000  0.0000  0.0000  1
  Ge  Ge3  18  0.0879  0.9032  0.6626  1
]