data_[Al1Zn2Cu1]
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 [Pmm2]
_cell_length_a [2.7790]
_cell_length_b [4.4204]
_cell_length_c [4.6772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlZn2Cu]
_chemical_formula_sum '[Al1 Zn2 Cu1]'
_cell_volume [57.4556]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4486  1.0
  Zn  Zn1  1  0.0000  0.5000  0.7977  1.0
  Zn  Zn2  1  0.5000  0.0000  0.9559  1.0
  Cu  Cu3  1  0.5000  0.5000  0.2978  1.0
]