data_[Sm1Pu3Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.2548]
_cell_length_b [5.2548]
_cell_length_c [8.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmPu3Cu8]
_chemical_formula_sum '[Sm1 Pu3 Cu8]'
_cell_volume [204.4649]
_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  1  0.0000  0.0000  0.5588  1
  Pu  Pu1  1  0.0000  0.0000  0.9517  1
  Pu  Pu2  1  0.6667  0.3333  0.0541  1
  Pu  Pu3  1  0.6667  0.3333  0.4342  1
  Cu  Cu4  3  0.0028  0.5014  0.7495  1
  Cu  Cu5  3  0.1692  0.3384  0.2508  1
  Cu  Cu6  1  0.3333  0.6667  0.0001  1
  Cu  Cu7  1  0.3333  0.6667  0.5003  1
]