data_[Pu4Be1Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9731]
_cell_length_b [4.1749]
_cell_length_c [15.2429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pu4BeGe8]
_chemical_formula_sum '[Pu4 Be1 Ge8]'
_cell_volume [252.8365]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0951  1
  Pu  Pu1  1  0.0000  0.5000  0.6029  1
  Pu  Pu2  1  0.5000  0.0000  0.8963  1
  Pu  Pu3  1  0.5000  0.5000  0.3967  1
  Be  Be4  1  0.0000  0.0000  0.3138  1
  Ge  Ge5  1  0.0000  0.0000  0.4627  1
  Ge  Ge6  1  0.0000  0.0000  0.7431  1
  Ge  Ge7  1  0.0000  0.5000  0.2360  1
  Ge  Ge8  1  0.0000  0.5000  0.9423  1
  Ge  Ge9  1  0.5000  0.0000  0.2358  1
  Ge  Ge10  1  0.5000  0.0000  0.5749  1
  Ge  Ge11  1  0.5000  0.5000  0.0560  1
  Ge  Ge12  1  0.5000  0.5000  0.7473  1
]