data_[Sm12Pd4Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5570]
_cell_length_b [4.6149]
_cell_length_c [11.9472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3PdPb2]
_chemical_formula_sum '[Sm12 Pd4 Pb8]'
_cell_volume [692.3307]
_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  0.0524  0.2500  0.3681  1
  Sm  Sm1  4  0.1250  0.7500  0.9459  1
  Sm  Sm2  4  0.2338  0.2500  0.6997  1
  Pd  Pd3  4  0.1238  0.2500  0.1256  1
  Pb  Pb4  4  0.0005  0.2500  0.8096  1
  Pb  Pb5  4  0.1837  0.7500  0.4950  1
]