data_[Sm4Ti4Al2Ir10]
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 [P4/mbm]
_cell_length_a [9.9013]
_cell_length_b [9.9013]
_cell_length_c [3.6429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sm2Ti2AlIr5]
_chemical_formula_sum '[Sm4 Ti4 Al2 Ir10]'
_cell_volume [357.1303]
_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  0.1792  0.3208  0.0000  1
  Ti  Ti1  4  0.1234  0.6234  0.0000  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  8  0.0598  0.7982  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.5000  1
]