data_[Ac2Pu1Ge7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5319]
_cell_length_b [4.5319]
_cell_length_c [11.8658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ac2PuGe7]
_chemical_formula_sum '[Ac2 Pu1 Ge7]'
_cell_volume [243.7021]
_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
[
  Ac  Ac0  2  0.0000  0.5000  0.2679  1
  Pu  Pu1  1  0.5000  0.5000  0.0000  1
  Ge  Ge2  2  0.0000  0.5000  0.6152  1
  Ge  Ge3  2  0.0000  0.5000  0.8348  1
  Ge  Ge4  1  0.0000  0.0000  0.0000  1
  Ge  Ge5  1  0.0000  0.0000  0.5000  1
  Ge  Ge6  1  0.5000  0.5000  0.5000  1
]