data_[Al12Zn2]
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 [P4/nbm]
_cell_length_a [5.4924]
_cell_length_b [5.4924]
_cell_length_c [8.5361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Al6Zn]
_chemical_formula_sum '[Al12 Zn2]'
_cell_volume [257.5032]
_cell_formula_units_Z [2]
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  0.1750  0.3250  0.3604  1
  Al  Al1  4  0.0000  0.0000  0.1484  1
  Zn  Zn2  2  0.0000  0.5000  0.0000  1
]