data_[Al6Zn26]
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 [Amm2]
_cell_length_a [5.1837]
_cell_length_b [9.8898]
_cell_length_c [9.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Al3Zn13]
_chemical_formula_sum '[Al6 Zn26]'
_cell_volume [511.5503]
_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  4  0.2490  0.0000  0.9996  1.0
  Al  Al1  2  0.0000  0.0000  0.2529  1.0
  Zn  Zn2  8  0.2491  0.2497  0.2488  1.0
  Zn  Zn3  4  0.0000  0.2490  0.9987  1.0
  Zn  Zn4  4  0.2493  0.0000  0.5030  1.0
  Zn  Zn5  4  0.5000  0.2495  0.9993  1.0
  Zn  Zn6  2  0.0000  0.0000  0.7511  1.0
  Zn  Zn7  2  0.5000  0.0000  0.2520  1.0
  Zn  Zn8  2  0.5000  0.0000  0.7476  1.0
]