data_[Al4Zn2Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9080]
_cell_length_b [2.9627]
_cell_length_c [4.5227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2ZnCu]
_chemical_formula_sum '[Al4 Zn2 Cu2]'
_cell_volume [118.0943]
_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  2  0.0005  0.0000  0.9909  1.0
  Al  Al1  2  0.2544  0.5000  0.2686  1.0
  Zn  Zn2  2  0.2473  0.0000  0.7512  1.0
  Cu  Cu3  2  0.4978  0.0000  0.4893  1.0
]