data_[Al16Ir2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0742]
_cell_length_b [4.2629]
_cell_length_c [5.1498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al8IrPd2]
_chemical_formula_sum '[Al16 Ir2 Pd4]'
_cell_volume [357.4391]
_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
[
  Al  Al0  4  0.0326  0.0000  0.2821  1.0
  Al  Al1  4  0.0906  0.5000  0.7053  1.0
  Al  Al2  4  0.1497  0.5000  0.2791  1.0
  Al  Al3  4  0.2348  0.0000  0.1492  1.0
  Pd  Pd4  4  0.1846  0.0000  0.6135  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]