data_[Sm8Ti4Al4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.8679]
_cell_length_b [13.7626]
_cell_length_c [6.2461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sm2TiAlIr2]
_chemical_formula_sum '[Sm8 Ti4 Al4 Ir8]'
_cell_volume [504.4230]
_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  0.2469  0.1760  0.0000  1.0
  Ti  Ti1  4  0.0000  0.5000  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.2500  1.0
  Ir  Ir3  8  0.2433  0.3948  0.0000  1.0
]