data_[Pu6Ge3F3]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_422]
_cell_length_a [5.8831]
_cell_length_b [5.8831]
_cell_length_c [8.2114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [181]
_chemical_formula_structural [Pu2GeF]
_chemical_formula_sum '[Pu6 Ge3 F3]'
_cell_volume [246.1226]
_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  6  0.2000  0.4000  0.0000  1
  Ge  Ge1  3  0.0000  0.5000  0.3333  1
  F  F2  3  0.0000  0.0000  0.1667  1
]