data_[Sm6Y3Pu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5931]
_cell_length_b [3.5931]
_cell_length_c [34.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm2YPu]
_chemical_formula_sum '[Sm6 Y3 Pu3]'
_cell_volume [385.3965]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0819  1
  Sm  Sm1  3  0.0000  0.0000  0.2514  1
  Y  Y2  3  0.0000  0.0000  0.5002  1
  Pu  Pu3  3  0.0000  0.0000  0.6665  1
]