data_[Sm20Ir8Pb4]
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 [I4/mcm]
_cell_length_a [7.9521]
_cell_length_b [7.9521]
_cell_length_c [13.9230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sm5Ir2Pb]
_chemical_formula_sum '[Sm20 Ir8 Pb4]'
_cell_volume [880.4411]
_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  16  0.1597  0.3403  0.3681  1
  Sm  Sm1  4  0.0000  0.0000  0.0000  1
  Ir  Ir2  8  0.1394  0.6394  0.5000  1
  Pb  Pb3  4  0.0000  0.0000  0.2500  1
]