data_[Sm4Pu4Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8870]
_cell_length_b [5.0656]
_cell_length_c [8.2492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Pu2Ge3]
_chemical_formula_sum '[Sm4 Pu4 Ge6]'
_cell_volume [360.2241]
_cell_formula_units_Z [2]
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
[
  Sm  Sm0  4  0.1365  0.5000  0.8698  1
  Pu  Pu1  4  0.0876  0.0000  0.3641  1
  Ge  Ge2  4  0.2342  0.5000  0.2804  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
]