data_[Al14Zn6]
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 [13.9459]
_cell_length_b [4.1486]
_cell_length_c [5.6810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al7Zn3]
_chemical_formula_sum '[Al14 Zn6]'
_cell_volume [324.4060]
_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  0.0993  0.5000  0.8014  1.0
  Al  Al1  4  0.1020  0.5000  0.3042  1.0
  Al  Al2  4  0.2001  0.0000  0.0992  1.0
  Al  Al3  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn4  4  0.1998  0.0000  0.6018  1.0
  Zn  Zn5  2  0.0000  0.0000  0.0000  1.0
]