data_[Sm8Pd4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4208]
_cell_length_b [4.0314]
_cell_length_c [17.9425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm2PdAu3]
_chemical_formula_sum '[Sm8 Pd4 Au12]'
_cell_volume [536.7703]
_cell_formula_units_Z [4]
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  0.0795  0.2500  0.2958  1
  Sm  Sm1  4  0.1827  0.2500  0.0677  1
  Pd  Pd2  4  0.0014  0.2500  0.5648  1
  Au  Au3  4  0.1049  0.2500  0.8427  1
  Au  Au4  4  0.2281  0.2500  0.6912  1
  Au  Au5  4  0.2329  0.7500  0.9474  1
]