data_[Pu12Tc12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5121]
_cell_length_b [10.3206]
_cell_length_c [13.0665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pu3Tc3Ge2]
_chemical_formula_sum '[Pu12 Tc12 Ge8]'
_cell_volume [608.4775]
_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
[
  Pu  Pu0  8  0.0000  0.0700  0.6141  1
  Pu  Pu1  4  0.0000  0.3237  0.7500  1
  Tc  Tc2  8  0.0000  0.3994  0.5691  1
  Tc  Tc3  4  0.0000  0.3998  0.2500  1
  Ge  Ge4  8  0.0000  0.2312  0.0901  1
]