data_[Al3Zn2Cu8]
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 [P2/m]
_cell_length_a [7.0189]
_cell_length_b [4.0291]
_cell_length_c [7.1738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Al3(ZnCu4)2]
_chemical_formula_sum '[Al3 Zn2 Cu8]'
_cell_volume [190.8107]
_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  2  0.2500  0.0000  0.2464  1
  Al  Al1  1  0.0000  0.5000  0.0000  1
  Zn  Zn2  2  0.2519  0.5000  0.7394  1
  Cu  Cu3  2  0.1270  0.5000  0.3795  1
  Cu  Cu4  2  0.1415  0.0000  0.8672  1
  Cu  Cu5  2  0.3747  0.0000  0.6134  1
  Cu  Cu6  2  0.3814  0.5000  0.1142  1
]