data_[Sm1Pu1Cu10]
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 [Pmmm]
_cell_length_a [4.0761]
_cell_length_b [5.1068]
_cell_length_c [8.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SmPuCu10]
_chemical_formula_sum '[Sm1 Pu1 Cu10]'
_cell_volume [183.0487]
_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  0.0000  1
  Pu  Pu1  1  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.5000  0.2498  0.2501  1
  Cu  Cu3  2  0.0000  0.0000  0.3340  1
  Cu  Cu4  2  0.0000  0.5000  0.1670  1
  Cu  Cu5  1  0.5000  0.0000  0.5000  1
  Cu  Cu6  1  0.5000  0.5000  0.0000  1
]