data_[Al8Cr4Cu20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.7702]
_cell_length_b [5.7702]
_cell_length_c [12.1338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Al2CrCu5]
_chemical_formula_sum '[Al8 Cr4 Cu20]'
_cell_volume [403.9902]
_cell_formula_units_Z [4]
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  8  0.0000  0.0000  0.2564  1
  Cr  Cr1  4  0.0000  0.0000  0.5000  1
  Cu  Cu2  16  0.2384  0.2500  0.1250  1
  Cu  Cu3  4  0.0000  0.0000  0.0000  1
]