data_[Al8Zn8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3273]
_cell_length_b [4.9533]
_cell_length_c [5.6368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AlZn]
_chemical_formula_sum '[Al8 Zn8]'
_cell_volume [260.4263]
_cell_formula_units_Z [8]
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  0.0809  0.2500  0.9975  1.0
  Al  Al1  4  0.1677  0.7500  0.7514  1.0
  Zn  Zn2  4  0.0812  0.2500  0.4991  1.0
  Zn  Zn3  4  0.1691  0.7500  0.2511  1.0
]