data_[Li4Pu4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8563]
_cell_length_b [3.9043]
_cell_length_c [10.4252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiPuGe2]
_chemical_formula_sum '[Li4 Pu4 Ge8]'
_cell_volume [319.7749]
_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
[
  Li  Li0  4  0.0155  0.7500  0.3973  1
  Pu  Pu1  4  0.1325  0.2500  0.1363  1
  Ge  Ge2  4  0.1542  0.2500  0.8096  1
  Ge  Ge3  4  0.2362  0.2500  0.4392  1
]