data_[Al6Zn6]
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 [Cm]
_cell_length_a [12.0285]
_cell_length_b [2.9864]
_cell_length_c [5.4923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlZn]
_chemical_formula_sum '[Al6 Zn6]'
_cell_volume [192.4962]
_cell_formula_units_Z [6]
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  2  0.1400  0.5000  0.7786  1.0
  Al  Al1  2  0.1406  0.5000  0.2768  1.0
  Al  Al2  2  0.4690  0.5000  0.9439  1.0
  Zn  Zn3  2  0.3066  0.0000  0.1139  1.0
  Zn  Zn4  2  0.3071  0.0000  0.6091  1.0
  Zn  Zn5  2  0.4701  0.5000  0.4444  1.0
]