data_[Sm8Tm4Pu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [7.7701]
_cell_length_b [7.7701]
_cell_length_c [7.7701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Sm8Tm4Pu]
_chemical_formula_sum '[Sm8 Tm4 Pu1]'
_cell_volume [469.1099]
_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
[
  Sm  Sm0  8  0.2438  0.7562  0.2438  1
  Tm  Tm1  3  0.0000  0.5000  0.5000  1
  Tm  Tm2  1  0.0000  0.0000  0.0000  1
  Pu  Pu3  1  0.5000  0.5000  0.5000  1
]