data_[Sm6Al14Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6082]
_cell_length_b [4.2822]
_cell_length_c [9.5655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Al7Ir4]
_chemical_formula_sum '[Sm6 Al14 Ir8]'
_cell_volume [522.0662]
_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  0.1922  0.5000  0.1990  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0046  0.5000  0.7897  1
  Al  Al3  4  0.1580  0.0000  0.9211  1
  Al  Al4  4  0.1846  0.5000  0.5245  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Ir  Ir6  4  0.1101  0.0000  0.3324  1
  Ir  Ir7  4  0.1622  0.5000  0.7826  1
]