data_[Al12Zn8]
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 [C2/m]
_cell_length_a [14.3985]
_cell_length_b [2.8245]
_cell_length_c [8.4441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al3Zn2]
_chemical_formula_sum '[Al12 Zn8]'
_cell_volume [326.5239]
_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  4  0.0225  0.5000  0.7639  1
  Al  Al1  4  0.1007  0.0000  0.5392  1
  Al  Al2  4  0.1023  0.0000  0.0748  1
  Zn  Zn3  4  0.1943  0.5000  0.3617  1
  Zn  Zn4  4  0.2125  0.0000  0.8602  1
]