data_[Al12Zn8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6019]
_cell_length_b [14.8246]
_cell_length_c [5.3651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al3Zn2Ir]
_chemical_formula_sum '[Al12 Zn8 Ir4]'
_cell_volume [366.0178]
_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
[
  Al  Al0  8  0.0000  0.1826  0.2417  1
  Al  Al1  4  0.0000  0.5000  0.2477  1
  Zn  Zn2  4  0.0000  0.3436  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  2  0.0000  0.0000  0.5000  1
  Ir  Ir5  4  0.0000  0.3496  0.0000  1
]