data_[Sm16Ir2Pb4]
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/m]
_cell_length_a [19.8086]
_cell_length_b [5.0811]
_cell_length_c [6.8959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8IrPb2]
_chemical_formula_sum '[Sm16 Ir2 Pb4]'
_cell_volume [669.2567]
_cell_formula_units_Z [2]
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  0.0169  0.0000  0.7860  1
  Sm  Sm1  4  0.0890  0.5000  0.4595  1
  Sm  Sm2  4  0.1443  0.5000  0.0028  1
  Sm  Sm3  4  0.2166  0.0000  0.3258  1
  Ir  Ir4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.1809  0.0000  0.7590  1
]