data_[Sm12Ir4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8835]
_cell_length_b [6.3906]
_cell_length_c [8.1538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3IrPb2]
_chemical_formula_sum '[Sm12 Ir4 Pb8]'
_cell_volume [687.9080]
_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  8  0.1537  0.0929  0.6181  1
  Sm  Sm1  4  0.0000  0.3275  0.2500  1
  Ir  Ir2  4  0.0000  0.1258  0.7500  1
  Pb  Pb3  8  0.1543  0.3845  0.0172  1
]