data_[Y8Al12Zn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.7229]
_cell_length_b [11.8084]
_cell_length_c [5.8795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2Al3Zn5]
_chemical_formula_sum '[Y8 Al12 Zn20]'
_cell_volume [744.4594]
_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
[
  Y  Y0  8  0.2467  0.3753  0.5000  1.0
  Al  Al1  8  0.1330  0.3717  0.0000  1.0
  Al  Al2  4  0.0000  0.0000  0.2500  1.0
  Zn  Zn3  8  0.0000  0.2422  0.2500  1.0
  Zn  Zn4  8  0.1409  0.1244  0.5000  1.0
  Zn  Zn5  4  0.0000  0.5000  0.2500  1.0
]