data_[Al8Fe48Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2671]
_cell_length_b [10.2706]
_cell_length_c [10.2751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [AlFe6Cu]
_chemical_formula_sum '[Al8 Fe48 Cu8]'
_cell_volume [766.9116]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.2503  1
  Al  Al1  4  0.0000  0.2492  0.0000  1
  Fe  Fe2  16  0.2488  0.3753  0.1256  1
  Fe  Fe3  16  0.2499  0.3747  0.3754  1
  Fe  Fe4  8  0.0000  0.2503  0.2511  1
  Fe  Fe5  2  0.0000  0.0000  0.0000  1
  Fe  Fe6  2  0.0000  0.0000  0.5000  1
  Fe  Fe7  2  0.0000  0.5000  0.0000  1
  Fe  Fe8  2  0.0000  0.5000  0.5000  1
  Cu  Cu9  4  0.0000  0.2505  0.5000  1
  Cu  Cu10  4  0.0000  0.5000  0.2512  1
]