data_[Y6Al6Zn45]
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 [R-3m]
_cell_length_a [8.9864]
_cell_length_b [8.9864]
_cell_length_c [13.2357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y2Al2Zn15]
_chemical_formula_sum '[Y6 Al6 Zn45]'
_cell_volume [925.6569]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3362  1.0
  Al  Al1  6  0.0000  0.0000  0.0992  1.0
  Zn  Zn2  18  0.0000  0.3014  0.0000  1.0
  Zn  Zn3  18  0.0099  0.5049  0.1538  1.0
  Zn  Zn4  9  0.0000  0.5000  0.5000  1.0
]